ISO 11238 Regulated Information on Substances Ontology
type: Ontology
abstract: The regulated information on substances ontology provides a semantic model representing the definitions for exchanging basic concepts for the unique identification and exchange of regulated information on substances. It is derived from the ISO 11238:2018 Health informatics - Identification of medicinal products - Data elements and structures for the unique identification and exchange of regulated information on substances standard.
license: https://opensource.org/licenses/MIT
imports: ISO21090-HarmonizedDatatypes
imports: ChangeManagement
imports: ISOConformanceAnnotations
imports: AnnotationVocabulary
imports: Classifiers
imports: CodesAndCodeSets
imports: Collections
imports: ContextualDesignators
imports: DatesAndTimes
imports: Designators
imports: Documents
imports: Identifiers
imports: Locations
imports: Organizations
imports: PartiesAndSituations
imports: ProductsAndServices
imports: QuantitiesAndUnits
imports: RegistrationAuthorities
imports: RegulatoryAgencies
imports: RolesAndCompositions
imports: TextDatatype
imports: CountryRepresentation
imports: ISO639-1-LanguageCodes
imports: LanguageRepresentation
imports: ISO1087-TerminologyScience
imports: ISO1087-VocabularyForTermsAndDefinitions
imports: MultipleVocabularyFacility
version IRI: ISO11238-Substances
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was augmented to add SKOS prefLabels for elements that have multiple labels (IDMP-734), to correct a wrong prefix for ReferenceSource, to make starting and resultant material roles disjoint, clean up URIs that had an erroneous final slash or were ill-formed, augment definitions with additional metadata from ISO 11238, and adjust the cardinality constraint on has quantity value range for amount to cover the case where there is both a quantity value range and reference range (GitHub-598).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was augmented to build out the definition of mixture to complete the requirements specified in clause 7.8 of the ISO 11238 standard and related information in ISO/TS 19844 (IDMP-675), to assist in addressing gaps with respect to the top-level class definitions and relationships in the complete model figures for authorized and investigational medicinal product in Annex A and Annex B, respectively, in ISO 11615 (IDMP-677), and to update the conformance points to be current (IDMP-322).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was augmented to build out the definition of protein substance to complete the requirements specified in clause 7.4 of the ISO 11238 standard and related information in ISO/TS 19844 (IDMP-594), to build out the definition of polymer substance to complete the requirements specified in clause 7.6 of the ISO 11238 standard and related information in ISO/TS 19844 (IDMP-673), and to add details for Organism (IDMP-640).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was augmented to build out the definition of source material (Figure 17 in the ISO standard) to support representation of biologics (IDMP-713) and to normalize the use of hasTextualName from MVF rather than from LCC.
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was augmented to integrate revisions to the content from the 1.2 revision of the OMG Commons Ontology Library (IDMP-774), and complete the linkage beween a manufacturer, a given business operation (facility), and the manufacturing site(s) at which a particular medicinal product (or component of a medicinal product) is manufactured (IDMP-779).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to add structural representations including molfile.
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to fill gaps to support the CMC use case.
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to integrate a revised manufactured item and packaging strategy for UC-2. (IDMP-465)
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to integrate content related to modifications from Figure 15 in ISO 11238, corresponding to clause 6.6 and Figure 8 in the implementation guide (IDMP-540), to support isotopes and nuclides as in ISO 11238, Figure 14 (IDMP-539), to move deprecated elements to a separate ontology, and to support additional reference information from Figure 16 in ISO 11238, corresponding to clause 6.6 and Figure 8 in the implementation guide (IDMP-522), addressed punning issues with modification method type, aligned the ontology with the revised basis of strength pattern (IDMP-582), and to add an axiom indicating that certain elements have data that can be used for testing purposes.
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to make manufactured item and pharmaceutical product disjoint, but both product specifications (IDMP-466), to extend the ontology to support some of the required and optional elements from Annex L (IDMP-483) for substances and chemical substances, to add restrictions for name and identifier to the moiety class (IDMP-510), to add content related to dose forms (IDMP-531), to revise the definitions of physical manufactured item and physical substance to add an annotation that they are extensions rather than that they correspond precisely to the IDMP 11238 standard (IDMP-528), and to complete the set of ingredient roles specified in the implementation guide for ISO 11615 (IDMP-304).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to reflect the migration of some content in Commons from the Parties and Situations ontology to a new Roles and Compositions ontology at OMG (IDMP-642), to incorporate additional content for structurally diverse substances (IDMP-635), to (1) rename cmns-doc;isSpecifiedBy to cmns-doc;isSpecifiedIn, and (2) rename concepts including Quantity, QuantityValue, and QuantityValueRange to ScalarQuantity, ScalarQuantityValue, and ScalarQuantityValueRange per the Commons 1.1 release (IDMP-655), and to augment the definition of nucleic acid substance to complete the requirements specified in clause 7.5 of the ISO 11238 standard and related information in ISO/TS 19844 (IDMP-592).
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to relax the restriction on the property hasStructure with respect to substances, single substances, and moieties to optional from at most one value, to allow for cases where there may be multiples, especially if mapping content from multiple repositories (IDMP-GitHub-244) to add definitions for certain stereochemistry nominals where they were missing (IDMP-GitHub-243), and to refactor concepts including substance, moiety, and add physical substance in order to distinguish specifications for substances, which is the primary perspective of the IDMP standards from physical substances, and rename substance constituency to substance composition, which is better understood by the user community. (IDMP-405)
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to relax the restriction on the property isStoichiometric with respect to chemical substances to optional from required (IDMP-380), and then reversed per the SME team and to conform with the IDMP standard.
change note: The https://spec.pistoiaalliance.org/idmp/ontology/ISO/ISO11238-Substances.rdf version of this ontology was modified to rename hasSimplifiedMolecularInputLineEntrySpecification to hasSMILES and to incorporate the ability to define controlled vocabularies that may or may not be jurisdiction-specific (IDMP-533).
has maturity level: Release
copyright: Copyright (c) 2022-2024 EDM Council, Inc.
copyright: Copyright (c) 2022-2024 Pistoia Alliance, Inc.

acid
type: Class
subclass of: substance
definition: substance that yields hydrogen ions or protons in aqueous solutions; a substance capable of accepting a pair of electrons for the formation of a coordinate covalent bond; a substance whose hydrogen can be replaced by metals or basic radicals, or which react with bases to form salts and water
example: An example of an acid is hydrochloric acid.
note: An acid is also defined as a chemical that gives off hydrogen ions in water and forms salts by combining with certain metals. Acids have a sour taste and turn certain dyes red. Some acids made by the body, such as gastric acid, can help the body work the way it should.
note: An acid is also defined in CHEBI as a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid).
has conformance to ISO level: ConformanceToISOLevel-Extension

active ingredient
type: Class
subclass of: ingredient
subclass of: substance role
definition: ingredient present in a currently or previously marketed drug product indicating that it is or becomes pharmacologically active once delivered to patients
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: Inxight Drugs, National Center for Advancing Translational Sciences, National Institutes of Health, derived from Definitions, available at https://drugs.ncats.io/about
synonym: active pharmacological ingredient

active moiety role
type: Class
subclass of: moiety role
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
disjoint with: inactive moiety role
definition: role of the part of a molecule responsible for the physiological or pharmacological action of the substance
note: Chemically, the active moiety of a stoichiometric or non-stoichiometric substance molecule is considered that part of the molecule that is the base, free acid or ion molecular part of a salt, solvate, chelate, clathrate, molecular complex or ester.
adapted from: Inxight Drugs, National Center for Advancing Translational Sciences, National Institutes of Health, derived from Definitions, available at https://drugs.ncats.io/about

additive ingredient
type: Class
subclass of: inactive ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient that is any additive in the product
note: Use only when there is no described pharmacological action and classification as merely 'inactive' ingredient is not appropriate.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

adjuvant
type: Class
subclass of: ingredient
subclass of: substance role
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.1
definition: ingredient that potentiates the immune response to an antigen and/or modulates it towards the desired immune response
note: An adjuvant is an agent that enhances the activity or therapeutic effect of another pharmacologic substance without having much, if any, therapeutic impact by itself.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
explanatory note: An adjuvant is defined as a component of a mixture in the ISO 11238 standard rather than as a role that such a component (substance) plays, thus this definition is non-conformant. It does, however, conform with its use as an ingredient in ISO 11615/TS 20443.

agent modification method
type: Class
subclass of: modification method
subclass of: Restriction
  on property: has modification type
  has value: modification method type - agent
subclass of: Restriction
  on property: has amount
  on class: amount
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasMethod
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has agent modification type
  on class: agent modification type
  qualified cardinality: 1
subclass of: Restriction
  on property: has modification role
  on class: modification role
  qualified cardinality: 1
subclass of: Restriction
  on property: has modification agent
  some values from: modification agent
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5
definition: method of a modification by means of an agent where the chemical modifications are diverse or unclear
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
has conformance to ISO level: ConformanceToISOLevel-ModelConformant
explanatory note: Agent modification describes modifications that do not result in the addition of a single well-defined chemical entity (i.e. formaldehyde, glutaraldehyde treatment, peroxide treatment). In the inactivation of vaccines or treatment of tissue matrices, agent modification is essential for the description of these materials. Agent modification is also used in describing the culturing of cells that result in phenotypic differentiation. The agent modification could also be used to capture the actual agent that reacts with a protein that results in the attachment of a well-defined chemical fragment or entity.
explanatory note: This class is equivalent to the agent modification class in Figure 15 of ISO 11238, but has been renamed to support the specification of an agent modification (this class), and the actual modification that in the physical world.

agent modification type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: agent modification method
subclass of: Restriction
  on property: denotes
  all values from: agent modification method
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.1
definition: classifier for modifications whereby the chemical modifications are diverse or unclear, specifying the type of agent caused the modification
example: chemical, enzymatic, immunological, organism, UV radiation
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

amount
type: Class
subclass of: physical characteristic
subclass of: Restriction
  on property: has amount type
  on class: amount type
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasQuantityValue
  on class: ScalarQuantityValue
  max qualified cardinality: 1
subclass of: Restriction
  on property: has reference quantity value range
  on class: ScalarQuantityValueRange
  max qualified cardinality: 1
subclass of: Restriction
  on property: has amount text
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has non-numeric value
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: hasQuantityValueRange
  on class: ScalarQuantityValueRange
  max qualified cardinality: 2
definition: characteristic that quantifies the absolute or relative mass, volume or other quantity of something
example: the relative mass of material of a specific substance in a mixture
note: The amount concept serves to provide the quantitative or qualitative values that are associated with a variety of elements. The same format will be used for all quantitative, semi-quantitative and qualitative values. Amounts may be a single value or a range (with low or high limits or both). An 'amount type' may be associated with an amount to state if the value needs to be interpreted as an average or an exact or approximate quantity. The attribute 'Non-numeric Value' is used to carry a value that is purely textual, with no numeric component. The 'Amount Text' is used for additional text to explain a numeric value.
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.8
explanatory note: Note that the model for representing an amount of something reuses the pattern from the Object Management Group's Quantities and Units ontology, which conforms with SysML v2 and a number of other ISO standards for the representation of quantities. Restrictions with respect to quantity value ranges and the associated units are modeled but not using the relational pattern represented in Figure 24 and others in ISO 11238, thus the representation of amount is non-conformant with the ISO 11238 standard.
usage note: Note that units in the ontology are associated with the quantity or quantity value rather than with the higher level amount concept.
usage note: The amount can be a range.
usage note: The amount can be expressed relative to a reference amount.
usage note: Unbounded ranges must be marked explicitly using 'is minimum/maximum unbounded' in the range. Unspecified boundaries in the range are not indicating that no boundary exists as it is done in some datamodels. If the boundary is expressed as a single quantity value, then the amount type 'not less than' (NLT) or 'not more than' (NMT) must be specified.

amount type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: amount
subclass of: Restriction
  on property: denotes
  all values from: amount
definition: classifies and denotes some quantity and states how a numeric amount is to be interpreted
example: Exact (the default, when not specified); Approximate; NLT; NMT
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.8.1
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide. Values specified in the standard are included, however.

amount type - approximate
type: NamedIndividual
type: amount type
definition: amount type for quantity values that are approximate
is member of: ISO 11238 - amount type vocabulary
is defined in: ISO 11238 - amount type vocabulary

amount type - exact
type: NamedIndividual
type: amount type
definition: amount type for quantity values that are exact
is member of: ISO 11238 - amount type vocabulary
is defined in: ISO 11238 - amount type vocabulary

amount type - not less than
type: NamedIndividual
type: amount type
definition: amount type for quantity values that are a lower bound
abbreviation: NLT
is member of: ISO 11238 - amount type vocabulary
is defined in: ISO 11238 - amount type vocabulary

amount type - not more than
type: NamedIndividual
type: amount type
definition: amount type for quantity values that are an upper bound
abbreviation: NMT
is member of: ISO 11238 - amount type vocabulary
is defined in: ISO 11238 - amount type vocabulary

analysis
type: Class
definition: process of determining the constituency of matter
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 29
synonym: analytical process

analytical method
type: Class
subclass of: Restriction
  on property: specifies
  some values from: analysis
definition: method or procedure for performing some analysis
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 29

atom
type: Class
subclass of: molecular entity
definition: smallest particle characterizing a chemical element
has conformance to ISO level: ConformanceToISOLevel-Extension
direct source: Nomenclature of Inorganic Chemistry – IUPAC Recommendations 2005, N. G. Connelly, T. Damhus, R. M. Hartshorn, A. T. Hutton (Eds.), Royal Society of Chemistry, Cambridge, U.K., ISBN 0-85404-438-8. 3rd ed., p. 35
explanatory note: It consists of a nucleus of a positive charge carrying almost all its mass (more than 99.9%) and Z electrons determining its size.

author
type: Class
subclass of: Actor
subclass of: Restriction
  on property: is author of
  all values from: Class
    union of: Document
    union of: Reference
subclass of: Restriction
  on property: isClassifiedBy
  on class: author type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has author description
  max qualified cardinality: 1
  on data range: string
definition: role of a party responsible for the creation of a publication, document, or of research, including data
note: In the context of ISO 11238, the author is a party (typically a person) that is recognized as the first to describe an organism species.
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5 and Figure 17
adapted from: ISO 5127:2017 Information and documentation - Foundation and vocabulary, clause 3.7.1.01
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13.6 and Figure 19

author type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: author
subclass of: Restriction
  on property: denotes
  all values from: author
definition: classifier for a party responsible for the creation of a publication, document, or of research, including data
example: Species parenthetical author, Species primary author
note: The type of author of an organism species should be specified. The parenthetical author of an organism species refers to the first author who published the plant/animal name (of any rank). The primary author of an organism species refers to the first author(s), who validly published the plant/animal name.
has business rules: All names should have a primary author to avoid ambiguity, but not every name will have a parenthetical author.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5 and Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13.6 and Figure 19
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

base
type: Class
subclass of: substance
definition: substance having an available pair of electrons capable of forming a covalent bond with a hydron or with the vacant orbital of some other molecular entity
note: A base is a molecular entity dissolved in a solvent that is capable of accepting a proton (Bronsted base) or forming a covalent bond with a hydron (Lewis base) (SIO).
has conformance to ISO level: ConformanceToISOLevel-Extension

base ingredient
type: Class
subclass of: inactive ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient that is the base of a preparation
example: water, vaseline, ethanol
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

chemical element
type: Class
subclass of: chemical substance
definition: chemical substance comprised of atoms with the same atomic number
has conformance to ISO level: ConformanceToISOLevel-Extension

chemical substance
type: Class
subclass of: monodisperse substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - chemical
subclass of: Restriction
  on property: hasConstituent
  on class: moiety
  min qualified cardinality: 0
subclass of: Restriction
  on property: is stoichiometric
  on data range: boolean
  qualified cardinality: 1
subclass of: Restriction
  on property: has defining structure
  some values from: molecular structure
disjoint with: nucleic acid substance
disjoint with: polymer substance
disjoint with: protein substance
disjoint with: structurally diverse substance
definition: single substance that can be described as a stoichiometric or non-stoichiometric single molecular entity and is not a protein, nucleic acid or polymer substance
note: Chemical substances are generally considered 'small' molecules which have associated salts, solvates or ions and may be described using a single definitive or representative structure.
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.11 and 7.3
synonym: simple chemical
synonym: simple chemical substance

color ingredient
type: Class
subclass of: inactive ingredient
label: colour ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient added to alter the color appearance
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

conformance level
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 5.9
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 5
equivalent class: Class
  one of: conformance level - conditional
  one of: conformance level - mandatory
  one of: conformance level - optional
definition: classifier that describes whether an element is required for a given substance type or a specified substance group
scope note: Conformance is not meant to be applied globally to all types of messages. Conformance will be expressed based on the following terminology: Mandatory, Conditional and Optional. Whether a data element is conditional by data, by process or by regional rule is out of scope of this ontology and will be defined within regional implementation guides.

conformance level - conditional
type: NamedIndividual
type: conformance level
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 5.9
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 5
definition: conformance level that applies to data elements 'within a category' as applicable, that are subject to business rules and may become required by: data rules; process rules; regional rules
note: Conditional applies when there are alternative data sources for a given data element(s) to identify a Substance/Specified Substance. Regional implementation of the ISO 11238 and ISO/TS 19844 may elevate the conditional conformance categories to 'mandatory' per regional requirements.
is member of: ISO 11238 - conformance context
is defined in: ISO 11238 - conformance context
has text value: CONDITIONAL

conformance level - mandatory
type: NamedIndividual
type: conformance level
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 5.9
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 5
definition: conformance level that applies to data elements that are required and shall therefore be implemented
note: Mandatory elements are defining elements necessary for the unique identification of Substances and Specified Substances per the ISO IDMP standards/technical specifications.
is member of: ISO 11238 - conformance context
is defined in: ISO 11238 - conformance context
has text value: MANDATORY

conformance level - optional
type: NamedIndividual
type: conformance level
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 5.9
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 5
definition: conformance level that applies to data elements that are informative but not definitional
note: When listed at the category level (e.g. Specified Substance), optional corresponds to ISO categories or data elements that are not absolutely necessary for the unique identification of Substances/Specified Substances as per ISO 11238. Regional implementation of ISO 11238 and ISO/TS 19844 may elevate the optional conformance categories to 'mandatory' or 'conditional' per regional requirements.
is member of: ISO 11238 - conformance context
is defined in: ISO 11238 - conformance context
has text value: OPTIONAL

contaminant ingredient
type: Class
subclass of: inactive ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient whose presence is not intended but may not be reasonably avoided given the circumstances of the mixture's nature or origin
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

copolymer connectivity
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: polymer substance
subclass of: Restriction
  on property: denotes
  all values from: polymer substance
definition: classifier specifying the copolymer sequence type (polymer connectivity), which can either be random, statistical, alternating, periodic, block, graft or mixed, typically describing the manner in which the SRUs (structural repeat units) connect to each other
example: random, alternating, block, graft, statistical, periodic, mixed, cross, N/A
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.3 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.62 and 7.6
synonym: polymer connectivity
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

degree of polymerization
type: Class
subclass of: physical characteristic
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: structural repeat unit
subclass of: Restriction
  on property: has amount
  on class: amount
  qualified cardinality: 1
subclass of: Restriction
  on property: isSignifiedBy
  on class: degree of polymerization code
  qualified cardinality: 1
definition: classifier specifying the average number of monomers or repeat units in a polymeric block or chain
note: Applies to both homopolymers and block copolymers where it refers to the degree of polymerization within a block.
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.2 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.22 and 7.6

degree of polymerization code
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Restriction
  on property: denotes
  all values from: degree of polymerization
definition: concept descriptor denoting the degree, within a block, of polymerization for a homopolymer or block copolymer
note: The degree of polymerization shall be described through the identification of the SRU and its associated amounts.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.2 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

development stage
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: Class
    union of: organism
    union of: physical organism
  min qualified cardinality: 0
definition: classifier representing the period of life of an animal, plant, algae, fungi, insect or micro-organism, characterized by growth pattern, behavior, and other milesones
example: foetus, infant, juvenile, adult, senescent, leafing, pre-flowering, flowering, fruiting, mature development stage, mature animal
note: This information should be provided only when the substance is significantly different in these stages (e.g. foetal bovine serum).
has business rules: The 'Source Material Type' values are presented based on the 'Source Material Class' values. Because organic/inorganic is just a class best captured in terminology of the source material types, only one data element is needed for type which implies class. For herbals, this class shall be mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.10
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

element group
type: Class
subclass of: Arrangement
subclass of: StructuredCollection
subclass of: Restriction
  on property: isIncludedIn
  some values from: specified substance group
subclass of: Restriction
  on property: hasName
  some values from: Name
definition: collection of aspects or sub-specifications in a specified substance group
has conformance to ISO level: ConformanceToISOLevel-Extension

ester
type: Class
subclass of: substance
source: Chemical Entities of Biological Interest Ontology, see http://purl.obolibrary.org/obo/CHEBI_35701
source: Medical Subject Headings, see http://purl.bioontology.org/ontology/MESH/D004952
definition: substance formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter
note: Esters are compounds derived from organic or inorganic acids in which at least one hydroxyl group is replaced by an -O-alkyl or another organic group. They can be represented by the structure formula RCOOR' and are usually formed by the reaction between an acid and an alcohol with elimination of water.
has conformance to ISO level: ConformanceToISOLevel-Extension

excipient
type: Class
subclass of: inactive ingredient
source: Chemical Entities of Biological Interest Ontology, see http://purl.obolibrary.org/obo/CHEBI_75324
definition: pharmacological role of a generally pharmacologically inactive substance that is formulated with the active ingredient of a medication
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
explanatory note: An excipient is not explicitly defined in the ISO 11238 standard (although clause 8.5 states that an excipient is a non-active ingredient intended to be used in the medicinal product), which this definition conforms with although it is modeled as a role in this ontology.
synonym: bulking agent
synonym: filler

flavor ingredient
type: Class
subclass of: inactive ingredient
label: flavour ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient added to alter the taste of the product
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

gene
type: Class
subclass of: Specification
subclass of: Restriction
  on property: isIdentifiedBy
  on class: gene identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasName
  on class: gene name
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasName
  on class: gene sequence origin
  max qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
definition: basic unit of hereditary information composed of chains of nucleotide base pairs in specific sequences that encodes a protein or protein subunit
note: A gene is a functional unit of heredity which occupies a specific position on a particular chromosome and serves as the template for a product that contributes to a phenotype or a biological function. Gene information should only be captured for proteins and nucleic acids. It does not apply for chemicals, polymers or structurally diverse substances. It is only used as reference information and refers to the gene that is the origin of the substance (typically a protein). Genes may also be substances and would be described as nucleic acids.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.29 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5 and Figure 8

gene element
type: Class
subclass of: Specification
subclass of: Restriction
  on property: isIdentifiedBy
  on class: gene element identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasName
  on class: gene element name
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: gene element type
  max qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
definition: individual element within a gene such as a promoter, enhancer, silencer or coding sequence
note: Gene elements should be captured for genes that are used in gene therapy.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.30 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.6 and Figure 8

gene element identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: gene element
definition: unique identifier for a gene element
has conformance level: conformance level - conditional
has values allowed: A unique identifier will be associated with each gene element.
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.2 and Figure 8

gene element name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: gene element
definition: specific name given for a gene element
example: SV40 Enhancer
has business rules: Implicit from the Gene Element ID from the applicable Gene element controlled vocabulary.
has conformance level: conformance level - conditional
has values allowed: A unique name will be associated with each gene element.
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.3 and Figure 8

gene element type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: denotes
  all values from: gene element
subclass of: Restriction
  on property: classifies
  some values from: gene element
definition: classifier for the gene element
example: enhancer, promoter, silencer, terminator, repressor, epimerase, polymerase linker, transferase, capsule transporter, synthase, synthetase
note: This should be captured for all genes that are transduced into cells and are intended to be expressed.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.2 and Figure 8
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

gene identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: gene
definition: unique identifier associated with the gene of origin
example: YP_299723.1
has conformance level: conformance level - conditional
has values allowed: Typically, from the NCBI Gene database.
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.2 and Figure 8

gene name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: gene
definition: complete name given for a gene
example: hIL-10 gene
note: Every gene which has an ID should also have a name.
has business rules: Implicit from the Gene ID from the applicable Gene database.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.3 and Figure 8

gene sequence origin
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: gene
definition: common name for the organism from which the final gene sequence originated
example: Human, Bovine, Human, Humanized, Mouse-Human Chimeric, Mouse, Bacterial, Viral, Plant, Arachnid
note: For monoclonal antibodies, the gene sequence origin should be used to capture species from which the antibody was derived.
has business rules: The provision of a Gene Sequence Origin applies primarily to proteins.
has conformance level: conformance level - conditional
has values allowed: Typically, from the NCBI Gene database.
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.5.3 and Figure 8

genus
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic category ranking below a family (or subfamily) and above a species and generally consisting of a group of species exhibiting similar characteristics
example: Ginkgo; Harpagophytum
note: Genus refers to the Latin epithet of the genus element of the plant/animal scientific name; it is present in names for genera, species and intraspecies.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: GENUS: CD

glycosylation
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: isClassifiedBy
  on class: glycosylation type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has c-glycosylation site
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has n-glycosylation site
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has o-glycosylation site
  max qualified cardinality: 1
  on data range: string
definition: description of an enzymatic process that links saccharides or oligosaccharides to substances, specifying the type and sites of post-translational modification involving the addition of glycosyl radicals to a protein or structurally diverse substance
example: Examples of glycosylation types include fungal, plant, anthropoid, avian, mammalian and human.
note: Glycosylation is both variable and heterogeneous. Glycosylation sites typically have multiple glycans attached to them and even differ on the extent of glycosylation on a given site. For Glycosylated proteins, the type and sites of glycosylation should be provided. Glycosylation is applicable to both proteins and structurally diverse substances. Although sites of N-glycosylation can generally be predicted from the amino acid sequence, sites of O-glycosylation and C-glycosylation are usually determined experimentally and may not be completely known at the time of submission and can be added to a substance record when known. Generally, all sites that have occupancy greater than 5% should be submitted to define the glycoprotein. Although analytical techniques are evolving to better characterize the glycans attached to proteins this data will not be required to define a substance but could be captured at the Specified Substance Group 1 level. There can be substantial differences in glycosylation that are often dependent on the particular clone of a cell line that is used to produce a protein or even vary on a batch to batch basis.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.31, Figures 20 and 23
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.8 and 7.5.6
synonym: SD glycosylation
synonym: structurally diverse glycosylation

glycosylation type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: glycosylation
definition: classifier for the glycan, specified based on a controlled vocabulary, that differentiates among the significant differences in glycosylation between different types of organisms
example: human, old world monkey, mammalian, avian, reptilian, fungal, bacterial, plant, insect, mammalian afucosylated, yeast humanized
note: The different glycosylation types are determined by the cell that either the protein or Specified Substance was synthesized in. The different types are based on consistent differences in the glycosylation. Human glycosylation differs from mammalian glycosylation in several ways. Human glycans do not contain glycolic acid residues on terminal sialic acid and they do not contain terminal .alpha.1-> 3-galactose. Old world monkeys also lack the ability to form .alpha. 1-> 3-galactose, but do have glycolic acid esters on terminal sialic acid residues. Other glycosylation types typically have substantial differences in both glycans used and the extent of site occupancy. Glycosylation type may also be captured for structurally diverse substances, particularly vaccines which may be produced in either human, mammalian or old-world monkey cells. The glycosylation type will often have substantial effects on the immunogenicity of the protein or vaccine.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.32, Figures 20 and 23
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.8 and 7.5.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

hybrid organism
type: Class
subclass of: organism
subclass of: Restriction
  on property: isClassifiedBy
  on class: hybrid type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has maternal parent organism named
  on class: Class
    union of: organism name
    union of: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has paternal parent organism named
  on class: Class
    union of: organism name
    union of: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: characterizes
  on class: organism
  min qualified cardinality: 0
subclass of: Restriction
  on property: has maternal parent organism identified by
  on class: Class
    union of: organism identifier
    union of: substance code
    union of: substance identifier
  min qualified cardinality: 0
subclass of: Restriction
  on property: has paternal parent organism identified by
  on class: Class
    union of: organism identifier
    union of: substance code
    union of: substance identifier
  min qualified cardinality: 0
subclass of: Restriction
  on property: isClassifiedBy
  on class: taxon
  min qualified cardinality: 2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: offspring resulting from combining the qualities of two organisms of different varieties, species, or genera
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: hybrid

hybrid type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: hybrid organism
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: classifier specifying the type of hybridization, based on a controlled vocabulary, if known
example: hybrid unknown lineage, hybrid known lineage
has business rules: If the hybridization step is present, the type of hybridization should be provided.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

hydrate
type: Class
subclass of: substance
source: Chemical Entities of Biological Interest Ontology, see http://purl.obolibrary.org/obo/CHEBI_35505
definition: addition compound (substance) that contains water in weak chemical combination with another compound
has conformance to ISO level: ConformanceToISOLevel-Extension

ISO 11238 - amount type vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 14-16, 19-25, 27, and 30-32
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.8.1
definition: controlled vocabulary specifying how the value associated with an amount should be interpreted
note: An 'amount type' may be associated with an amount to state if the value needs to be interpreted as an average or an exact or approximate quantity.
is constituent of: ISO 19844 code set
has description: controlled vocabulary specifying how the value associated with an amount should be interpreted
has language: English
has textual name: ISO 11238 Amount Type vocabulary

ISO 11238 classification scheme
type: NamedIndividual
type: ClassificationScheme
definition: system for classifying substances and substance-related information that is directly specified in the ISO 11238 specification
has conformance to ISO level: ConformanceToISOLevel-Extension

ISO 11238 - conformance context
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
definition: controlled vocabulary for the conformance terminology and context as it relates to ISO 11238 and ISO/TS 19844
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 5.9
is constituent of: ISO 19844 code set
has description: controlled vocabulary for the conformance terminology and context as it relates to ISO 11238 and ISO/TS 19844
has language: English
has textual name: ISO 11238 Conformance Context

ISO 11238 - isotopic substitution
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14
definition: controlled vocabulary specifying the nature of isotopic substitution by site of substitution
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3, table 62
is constituent of: ISO 19844 code set
has description: controlled vocabulary specifying the nature of isotopic substitution by site of substitution
has language: English
has textual name: ISO 11238 Isotopic Substitution vocabulary

ISO 11238 - mixture type vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
definition: controlled vocabulary specifying the nature of the mixture with respect to the constituents that it may have
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24
is constituent of: ISO 19844 code set
has description: controlled vocabulary specifying the nature of the mixture with respect to the constituents that it may have
has language: English
has textual name: ISO 11238 Mixture Type vocabulary

ISO 11238 - modification method vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
definition: controlled vocabulary specifying the nature of the method of modification
is constituent of: ISO 19844 code set
has description: controlled vocabulary specifying the nature of the method of modification
has language: English
has textual name: ISO 11238 Modification Method vocabulary

ISO 11238 - official name status
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: controlled vocabulary specifying the nature of the method of modification
is constituent of: ISO 19844 code set
has description: controlled vocabulary for the status of an official name from a pre-defined ISO 19844 code set
has language: English
has textual name: ISO 11238 Official Name Status vocabulary

ISO 11238 - oligo nucleotide type vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
definition: controlled vocabulary used to distinguish a single stranded oligo nucleotide from a double stranded gene or rDNA vaccine
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
is constituent of: ISO 19844 code set
has description: controlled vocabulary used to distinguish a single stranded oligo nucleotide from a double stranded gene or rDNA vaccine
has language: English
has textual name: ISO 11238 Oligo Nucleotide Type vocabulary

ISO 11238 - optical activity vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 14
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.2
definition: controlled vocabulary the ability of a chemical substance to rotate the plane of vibration of polarized light to the right or left
is constituent of: ISO 19844 code set
has description: controlled vocabulary indicating the ability of a chemical substance to rotate the plane of vibration of polarized light to the right or left
has language: English
has textual name: ISO 11238 Optical Activity vocabulary

ISO 11238 - reference source class vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
definition: controlled vocabulary for a broad category for the source in which the data elements were found
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
is constituent of: ISO 19844 code set
has description: controlled vocabulary for a broad category for the source in which the data elements were found
has language: English
has textual name: ISO 11238 Reference Source Class vocabulary

ISO 11238 - residue modified vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.2
definition: controlled vocabulary for the residue of a modification
is constituent of: ISO 19844 code set
has description: controlled vocabulary for the residue of a modification
has language: English
has textual name: ISO 11238 Residue Modified vocabulary

ISO 11238 - stereochemistry vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause B.6.5.1
definition: controlled vocabulary for the relative spatial arrangement of atoms in 3-dimensional space within molecules
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.80, clause 7.2.2, clause 7.3, and Figure 14
is constituent of: ISO 19844 code set
has description: controlled vocabulary for the relative spatial arrangement of atoms in 3-dimensional space within molecules
has language: English
has textual name: ISO 11238 Stereochemistry vocabulary

ISO 11238 - structural representation vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: controlled vocabulary for representing the arrangement of atoms for describing chemical structures
is constituent of: ISO 19844 code set
has description: controlled vocabulary for representing the arrangement of atoms for describing chemical structures
has language: English
has textual name: ISO 11238 Structural Representation vocabulary

ISO 11238 - substance name classifier vocabulary
type: NamedIndividual
type: ControlledVocabulary
type: ClassificationScheme
type: CodeSet
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: controlled vocabulary for the description of the nature of the substance name from a pre-defined ISO 19844 code set
is constituent of: ISO 19844 code set
has description: controlled vocabulary for the description of the nature of the substance name from a pre-defined ISO 19844 code set
has language: English
has textual name: ISO 11238 Substance Name Classifier vocabulary

ISO 19844 code set
type: NamedIndividual
type: CodeSet
definition: set of controlled vocabularies and codes for reporting of substance-related information that are directly specified in the ISO/TS 19844 guidelines
has conformance to ISO level: ConformanceToISOLevel-Extension

IUPAC International Chemical Identifier
type: Class
subclass of: structural representation
subclass of: Restriction
  on property: isClassifiedBy
  has value: structural representation type - InChI
subclass of: Restriction
  on property: has InChI value
  max qualified cardinality: 1
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.1.3, A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: specification for a linear, layered representation of a chemical structure, comprised of up to four layers: (1) constitutional - expresses pure connectivity of the atoms, (2) stereochemical - includes conventional C-atom sp2 and sp3 stereochemistry, (3) isotopic - enables isotopes to be distinguished, and (4) tautomeric - implements simple forms of rapid H-migration isomerization
note: The system was primarily developed at the National Institute of Standards and Technology in the USA. InChI is a non-proprietary structural representation and the software necessary to generate InChIs are provided under an open-source LGPL.
abbreviation: InChI

IUPAC International Chemical Identifier Key
type: Class
subclass of: structural representation
subclass of: Restriction
  on property: isClassifiedBy
  has value: structural representation type - InChIKey
subclass of: Restriction
  on property: has InChIKey value
  max qualified cardinality: 1
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.1.3, A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: specification for a fixed length (25 characters) condensed digital representation of an InChI
example: The InChI for formaldehyde is InChI=1S/CH2O/c1-2/h1H2 and the InChIKey WSFSSNUMVMOOMR-UHFFFAOYSA-N
example: The InChI for morphine is InChI = 1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11, 13,16,19-20H,6-8H2,1H3/t10-,11-,13-,16-,17-/m0/s1 and the InChIKey for morphine is BQJCRHHNABKAKU-LWEBRIGMSA-N
abbreviation: InChIKey
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause A.1.3 and A.2.4

inactive ingredient
type: Class
subclass of: ingredient
subclass of: substance role
definition: ingredient of a given formulation (most frequently, an excipient) that does not exhibit pharmacological activity
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: Inxight Drugs, National Center for Advancing Translational Sciences, National Institutes of Health, derived from Definitions, available at https://drugs.ncats.io/about
explanatory note: Substances are classified based on their effect on disease progression for a specific disease or condition. In this case, a condition is only related to such compound via the formulation used to affect (treat or diagnose) this condition.

inactive moiety role
type: Class
subclass of: moiety role
definition: role of an inactive portion of a molecule or substance, i.e., one that that does not exhibit pharmacological activity
example: Examples include the appended portions of the molecule that cause the drug to be an ester, salt (including a salt with hydrogen or coordination bonds), or other noncovalent derivative (such as a complex, chelate, or clathrate) of the molecule.
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: Inxight Drugs, National Center for Advancing Translational Sciences, National Institutes of Health, derived from Definitions, available at https://drugs.ncats.io/about

IndividualOrganism
type: Class
deprecated: true
equivalent class: physical organism

ingredient
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isPlayedBy
  on class: Restriction
    on property: isIncludedIn
    on class: manufactured item
    min qualified cardinality: 0
  min qualified cardinality: 0
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of a substance that is specifically part of or used in the preparation of some manufactured item, pharmaceutical product, medication, or drug
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
synonym: pharmacological role
usage note: An ingredient is defined as a material in the ISO 11238 standard rather than as a role, which would make the model inconsistent. Thus this concept is consistent in terms of its name but not in terms of its definition.
usage note: Note that any inactive ingredient that is described as 'ingredient not otherwise specified' in the ISO/TS 20443 implementation guide will simply be classified as an ingredient at this level in the hierarchy in the ontology, or as an inactive ingredient without other differentiation.

interaction type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: target interaction
subclass of: Restriction
  on property: denotes
  all values from: target interaction
definition: classifier for the kind(s) of interactions that may occur between a substance and its target
example: AGONIST, INDUCER, INHIBITOR, PARTIAL ANTAGONIST, SUBSTRATE, PRODUCT
note: A controlled vocabulary should be developed to capture these types of interactions. The interaction type should be captured for all substrate-target interactions. A substance can have multiple types of interactions.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.3
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

intraspecific type
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic category ranking below species
example: cv. (cultivar), var. (variety), serotype, strain, subsp. (subspecies); cell line; year of isolation
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: INTRASPECIFIC_TYPE: CD

isotope
type: Class
subclass of: chemical element
subclass of: Restriction
  on property: has isotope substitution type
  on class: isotopic substitution classifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: isIdentifiedBy
  on class: nuclide identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has nuclide name
  on class: nuclide name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has half life
  on class: ScalarQuantityValue
  max qualified cardinality: 1
definition: variant of a chemical substance comprised solely of atoms with the same atomic number, that differs by atomic mass, having the same number of protons and differing in the number of neutrons in the nucleus
note: Isotopes of the same element have similar chemical properties but different physical properties, such as mass and radioactivity.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7
usage note: All radionuclide and non-natural isotopes will also be represented in the structural representation for chemical substances. For other types of substances, a structural representation could be created to indicate the position of substitution.
usage note: Applicable for single substances that contain a radionuclide or a non-natural isotopic ratio, e.g. ¹³C enriched material.

isotope composition
type: Class
subclass of: molecular composition
definition: constituency of a substance in terms of nuclides being present
has conformance to ISO level: ConformanceToISOLevel-Extension

isotopic substitution
type: Class
definition: replacement of an atom by a specific nuclide
has conformance to ISO level: ConformanceToISOLevel-Extension

isotopic substitution - non-specific
type: NamedIndividual
type: isotopic substitution classifier
different from: isotopic substitution - specific
different from: isotopic substitution - unknown
definition: isotopic substitution where the nuclide is distributed throughout molecule or substance
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3, table 62
is member of: ISO 11238 - isotopic substitution
is defined in: ISO 11238 - isotopic substitution

isotopic substitution - specific
type: NamedIndividual
type: isotopic substitution classifier
different from: isotopic substitution - unknown
definition: isotopic substitution if the site of attachment/substitution is specific and indicated in the structure
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3, table 62
is member of: ISO 11238 - isotopic substitution
is defined in: ISO 11238 - isotopic substitution

isotopic substitution - unknown
type: NamedIndividual
type: isotopic substitution classifier
definition: isotopic substitution where the site of attachment/substitution is unknown
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3, table 62
is member of: ISO 11238 - isotopic substitution
is defined in: ISO 11238 - isotopic substitution

isotopic substitution classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: isotopic substitution
subclass of: Restriction
  on property: denotes
  all values from: isotopic substitution
definition: classifier for an isotopic substitution by site of substitution
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

kingdom
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: highest taxonomic rank, immediately above phylum or division
example: Plantae
has business rules: This is derived from the species and is referenced from an appropriate terminology/taxonomy. Catalogue of Life typically captures complete taxonomy in a manner consistent with this standard.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: KINGDOM: CD

linkage
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: has linkage name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has linkage identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has linkage connectivity
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has residue site
  on data range: string
  qualified cardinality: 1
definition: connection between sugar residues
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27

manufactured item
type: Class
subclass of: Restriction
  on property: comprises
  on class: substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: isProducedBy
  some values from: manufacturer
definition: specification for a good that embodies the qualitative and quantitative composition of a product as contained in the packaging of the medicinal product
note: A medicinal product may contain one or more manufactured items. In many instances the manufactured item is equal to the pharmaceutical product. However, there are instances where the manufactured item(s) undergo a transformation before being administered to the patient (as the pharmaceutical product) and the two are not equal.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.38

manufacturer
type: Class
subclass of: Producer
subclass of: Restriction
  on property: hasName
  some values from: manufacturer name
subclass of: Restriction
  on property: isIdentifiedBy
  some values from: manufacturer identifier
subclass of: Restriction
  on property: isPlayedBy
  some values from: LegalEntity
definition: functional role of a party that produces finished products from raw materials or components using tools, machinery, labor, and chemical or physical transformation
note: In the context of ISO 11238, the definition refers to a company responsible for the manufacturing of the substance. From a more general ISO IDMP perspective, a manufacturer refers to an organization that holds the authorization for the manufacturing process.
has conformance to ISO level: ConformanceToISOLevel-NonConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.39
synonym: establishment

manufacturer identifier
type: Class
subclass of: CodeElement
subclass of: RegisteredIdentifier
subclass of: Restriction
  on property: identifies
  all values from: manufacturer
definition: unique identifier (code) for the role of a legal entity that produces finished products from raw materials or components thereof
example: DUNS86745HF (Artificial ID)
has business rules: For both active ingredients and excipients intended to be used in the medicinal product the information shall be provided. A necessary condition for the Specified Substance Group 2 to exist is: either the Manufacturer ID, Manufacturer Name and Manufacturing Type is available AND/OR the production method type, product system type and production system exist. The manufacturer and Production Method Description can coexist, but at least one shall be provided. The Manufacturer ID for the Specified Substance Group 2 shall be linked to the actual Manufacturing site where the substance is manufactured. If necessary, bulk substance manufacturing site and further steps (e.g. micronization site) shall be provided. The Manufacturer ID is primarily linked to the bulk manufacturing of the substance. When other sites are needed to describe additional production steps this information shall be captured by the Reference Source Document class.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.2.7.9.1

manufacturer name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: hasTextualName
  on data range: string
  qualified cardinality: 1
subclass of: Restriction
  on property: isNameOf
  some values from: manufacturer
definition: designation for the role of a legal entity that produces finished products from raw materials or components thereof
example: Company ABC, (Address, Geographical coordinates)
note: The process by which valid Manufacturer IDs are captured will be defined by Regional Guidance.
has business rules: For both active ingredients and excipients intended to be used in the medicinal product the information shall be provided.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.2.7.9.2
explanatory note: The name of the manufacturer of the Specified Substance as provided in CTD 3.2.S.2.1

market context
type: Class
subclass of: Context
definition: context that reflects a group of people with some shared characteristics that an organization has identified as potential customers for for a substance or product
has conformance to ISO level: ConformanceToISOLevel-Extension
explanatory note: Market context is applicable with respect to patent exclusivity, for example.

material
type: Class
subclass of: matter
subclass of: Restriction
  on property: comprises
  on class: physical substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: has structure
  on class: structure
  min qualified cardinality: 0
subclass of: Restriction
  on property: hasName
  some values from: material name
subclass of: Restriction
  on property: isIdentifiedBy
  some values from: material identifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.41, Figure 30
disjoint with: molecular entity
definition: entity that has mass, occupies space and consists of one or more substances
explanatory note: Material is not defined herein at a molecular or astronomical level and can be described using classical Newtonian physics.
synonym: manufacturing material
synonym: manufacturing material substance

material classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: material
definition: classifier for substances or specified substances of which certain products, packaging, or devices are made
example: biological material
example: botanical material
example: synthetic material
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.5.5, Figure 30
synonym: material type
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

material component
type: Class
subclass of: material
subclass of: Constituent
subclass of: Restriction
  on property: isPartOf
  some values from: material
definition: material that is part of some multi-substance material
example: Dimethicone and silicon dioxide are components of simethicone. Human insulin and protamine are the components in human insulin isophane.
note: From an ISO 11238 perspective, a component (material component) is a substance which is part of a mixture and that defines a multi-substance material at the Specified Substance Group 1 level.
has conformance to ISO level: ConformanceToISOLevel-ModelConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.14
synonym: component
synonym: constituent component

material component classifier
type: Class
subclass of: material classifier
subclass of: Restriction
  on property: classifies
  some values from: material component
definition: classifier for components of some material
note: Classifiers for material components are usually by function or by build-up that describes the kind of component.
has conformance to ISO level: ConformanceToISOLevel-ModelConformant
synonym: component classifier
synonym: component type
synonym: material component type

material component specification
type: Class
subclass of: material specification
subclass of: Restriction
  on property: specifies
  all values from: Restriction
    on property: isPartOf
    some values from: material
subclass of: Restriction
  on property: has material component type
  on class: material component classifier
  min qualified cardinality: 0
definition: specification of a component or part of a material
note: Material components in the context of IDMP may be packaging (container) components or device components.

material identifier
type: Class
subclass of: CodeElement
subclass of: RegisteredIdentifier
subclass of: Restriction
  on property: identifies
  some values from: material
definition: unique identifier for substances or specified substances of which certain products, packaging, or devices are made
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 30
synonym: manufacturing material substance ID

material name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: hasTextualName
  on data range: string
  qualified cardinality: 1
subclass of: Restriction
  on property: isNameOf
  some values from: material
definition: designation for a substance or specified substance of which certain products, packaging, or devices are made
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 30
synonym: manufacturing material substance name

material role
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isPlayedBy
  some values from: Class
    union of: material
    union of: material specification
definition: functional role played by a material that is part of or used in the preparation of some manufactured item, or pharmaceutical product, medication, or drug
has conformance to ISO level: ConformanceToISOLevel-Extension

material specification
type: Class
subclass of: Specification
subclass of: Restriction
  on property: specifies
  all values from: material
subclass of: Restriction
  on property: has material
  on class: Class
    union of: material specification
    union of: material classifier
    union of: substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: has alternate material
  on class: Class
    union of: material specification
    union of: material classifier
    union of: substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: specifies
  some values from: material
definition: specification for substances or specified substances that are part of or used in the preparation of some manufactured item, or pharmaceutical product, medication, or drug
has conformance to ISO level: ConformanceToISOLevel-Extension

matter
type: Class
definition: something that has mass and occupies space by virtue of having volume
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.41
explanatory note: Note that the concept of 'matter' is used in the definition of substance but not explicitly defined in the IDMP standards. The definition of 'material' is close, but adds the notion of consisting of one or more substances, thus this term generalizes both material and substance.
synonym: physical object

mechanical ingredient
type: Class
subclass of: inactive ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient which, as a whole, lends a spatial structure to the product, which structure is meaningful to the delivery of the pharmacologically active ingredients near the target site
example: For example, a collagen matrix used as a base for transplanting skin cells.
note: Such ingredient has a function other than merely delivering the pharmacologically active substances into a systemic compartment (such as, for example, an ordinary capsule would have.)
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

mixture
type: Class
subclass of: polydisperse substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - mixture
subclass of: Restriction
  on property: comprises
  on class: single substance
  min qualified cardinality: 2
subclass of: Restriction
  on property: isClassifiedBy
  on class: mixture type
  qualified cardinality: 1
subclass of: Restriction
  on property: is multi-substance starting material
  on data range: boolean
  qualified cardinality: 1
disjoint with: single substance
definition: polydisperse substance that is a combination of single substances isolated together or produced in the same synthetic process
example: Gentamicin is defined as a mixture substance of Gentamicin C1, Gentamicin C1A, Gentamicin C2, Gentamicin C2A and Gentamicin C2B. Glyceryl monoesters are defined as mixture substances of two single substances which differ in the position of esterification. Simethicone, which consists of dimethicone and silicon dioxide, is not defined as a mixture substance since these are diverse materials brought together to form a multi-substance material.
example: Glyceryl monoesters could be defined as a mixture of two single substances which differ in the position of esterification.
note: Material that contains multiple substances can be mixture if the substances are either isolated or synthesized together. Racemic mixtures or substances containing unknown or mixed stereochemistry will not be defined as mixtures, but will be represented as substances that contain impurities or degradants. Mixtures of mixtures will not be allowed. Each component of a mixture should be listed. Substances present in trace amounts will not be listed in a mixture unless they are known to have a specific effect. Mixtures are also used when substance ambiguity exists in authoritative sources (e.g. aloe).
note: Mixture could be used for a homologous group of structurally diverse single substances used as starting materials in order to prepare an allergen extract. The extract is further described by using the class 'Source Material', element group 'Fraction Description' (allergen preparation) obtained from the structurally diverse single substances (starting materials) as parent substances. This substance (allergen extract) is the result of the same (synthetic) process and hence the extract is considered as a mixture substance.
note: Single substances of diverse origin that are brought together and do not undergo a chemical transformation as a result of that combination are defined as multi-substance materials (Specified Substance Group 1) and not as mixture.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.2.1 and 7.6 and Figures 5 and 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.44 and 7.8, and Figure 24
synonym: mixture of single molecular entities

mixture type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: mixture
subclass of: Restriction
  on property: denotes
  all values from: mixture
definition: classifier for the mixture
example: all of; one of; any of
note: There are basically three potential mixture types. Most mixtures will be 'all of' mixtures meaning that all of the constituents are present in the mixture. The other two types of mixture are 'one of' or 'any of'. 'Any of' mixtures will mean that at least one of the constituents shall be present but other constituents may or may not be present.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24

mixture type - all of
type: NamedIndividual
type: mixture type
definition: classifier for the mixture indicating that all of the constituents are present in the mixture
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24
is member of: ISO 11238 - mixture type vocabulary
is defined in: ISO 11238 - mixture type vocabulary
has text value: all of

mixture type - any of
type: NamedIndividual
type: mixture type
definition: classifier for the mixture indicating that at least one of the constituents is present but other constituents may or may not be present in the mixture
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24
is member of: ISO 11238 - mixture type vocabulary
is defined in: ISO 11238 - mixture type vocabulary
has text value: any of

mixture type - one of
type: NamedIndividual
type: mixture type
definition: classifier for the mixture indicating that one of the constituents is present in the mixture
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24
is member of: ISO 11238 - mixture type vocabulary
is defined in: ISO 11238 - mixture type vocabulary
has text value: one of

modification
type: Class
subclass of: Restriction
  on property: has modification type
  on class: modification method type
  min qualified cardinality: 0
subclass of: Restriction
  on property: has residue modified
  on class: residue modified
  min qualified cardinality: 0
subclass of: Restriction
  on property: has modification residue site
  min qualified cardinality: 0
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1 and Figure 15
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.2
definition: process that changes the constituency, structure or a characteristic of matter, while retaining the essential characteristics of the matter with regards to its identity
example: Structural modifications are used to describe in principle covalent modifications or essential associations of moieties with a protein, nucleic acid, or structurally diverse material. Covalent modification for a protein, nucleic acid or structurally diverse material typically means an amino acid substitution, a C-/N-terminal modification of a protein or base or 5'-, 3'- modifications of nucleic acids. The tight and/or stoichiometric association of moieties to macromolecular material by ionic forces, chelate formation, van der Waals interactions, or dipole moment interactions are also considered structural modifications since they may affect the tertiary structure of the protein/peptide or are an essential element of the drug substance (e.g. a chelated radionuclide). When peptide or nucleic acid chains are tightly associated either through covalent bonds or strong non-covalent interactions (e.g. Factor VIII: Von-Willebrand Factor interactions, Watson-Crick base pairing) they will be described as subunits of the respective protein or nucleic acid.
has conformance level: conformance level - conditional
explanatory note: Modification is used to describe irreversible modifications to material (e.g. PEGylation, phosphorylation, hydrogenation) or reversible modifications that may affect tertiary structure. The modifications may be physical, chemical, enzymatic, etc. Modifications may be described by their structural result (substitution of moieties to residues, etc.) or by the process, reagents, or processing time if a specific structural modification cannot be determined (e.g. aggregated albumin).
explanatory note: Whether something is a modification depends on the identity of the entity that is being modified. If the identity is kept, then it is a modification. If is not, then the process is a change, which involves the destruction of identity of the entity before the change and the creation of a new entity.
synonym: modification process
usage note: In case of N-Terminal modification and C-Terminal modification of a Protein subunit, the Modification class is mandatory.

modification agent
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isPlayedBy
  on class: substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: isManifestedIn
  some values from: modification
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
definition: something that acts as an agent in the modification of another substance
example: A chemical, an enzyme, an organism or UV radiation can play this role.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.3
usage note: If the agent explicitly named an agent-based modification is a substance, its identifier is an identifier assigned to that substance, such as a UNII or Global substance identifier.

modification method
type: Class
subclass of: Restriction
  on property: has residue modified
  on class: residue modified
  min qualified cardinality: 0
subclass of: Restriction
  on property: has modification residue site
  min qualified cardinality: 0
  on data range: string
subclass of: Restriction
  on property: has modification type
  on class: modification method type
  qualified cardinality: 1
subclass of: Restriction
  on property: specifies
  some values from: modification
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
definition: specification of a substance modification

modification method type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: denotes
  all values from: Class
    union of: modification
    union of: modification method
subclass of: Restriction
  on property: classifies
  all values from: Class
    union of: modification
    union of: modification method
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
definition: classifier for the method of modification
example: structural modification, agent modification, physical modification
has business rules: In case of N-Terminal modification and C-Terminal modification of a protein subunit, modification is mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
explanatory note: The modification type becomes apparent by its description. Structural modification is described using the structural elements. Agent and physical modifications are described by a series of elements. Agents are also substances in their own right.
synonym: modification type
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

modification method type - agent
type: NamedIndividual
type: modification method type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
is member of: ISO 11238 - modification method vocabulary
is defined in: ISO 11238 - modification method vocabulary
has text value: agent

modification method type - physical
type: NamedIndividual
type: modification method type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
is member of: ISO 11238 - modification method vocabulary
is defined in: ISO 11238 - modification method vocabulary
has text value: physical

modification method type - structural
type: NamedIndividual
type: modification method type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
is member of: ISO 11238 - modification method vocabulary
is defined in: ISO 11238 - modification method vocabulary
has text value: structural

modification role
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isSignifiedBy
  on class: modification role code
  max qualified cardinality: 1
subclass of: Restriction
  on property: isManifestedIn
  some values from: modification
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.2
definition: function of the modification of the substance
example: antigen, linker, conjugate, inactivation, antigen priming, end-cap polymerization, sizing of polysaccharide into oligosaccharides, inactivation of antigen to reduce allergenicity
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
explanatory note: For proteins, agent (a chemical that results in non-specific modifications of a protein) or moiety (a specific moiety added to a protein molecule) are used to describe the function of the modification.

modification role code
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: modification role
  qualified cardinality: 1
subclass of: Restriction
  on property: denotes
  on class: modification role
  qualified cardinality: 1
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.2
definition: code for the function of a modification
has conformance to ISO level: ConformanceToISOLevel-Extension
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

moiety
type: Class
subclass of: molecular constituent
subclass of: Specification
subclass of: Restriction
  on property: isIdentifiedBy
  all values from: moiety identifier
subclass of: Restriction
  on property: hasName
  all values from: moiety name
subclass of: Restriction
  on property: has defining molecular formula
  all values from: molecular formula
subclass of: Restriction
  on property: has defining molecular formula by moiety
  all values from: molecular formula by moiety
subclass of: Restriction
  on property: has defining structure
  all values from: molecular structure
subclass of: Restriction
  on property: has defining molecular weight
  all values from: molecular weight
subclass of: Restriction
  on property: has optical activity
  all values from: optical activity
subclass of: Restriction
  on property: has defining stereochemistry
  all values from: stereochemistry
subclass of: Restriction
  on property: has reference information
  on class: reference information
  max qualified cardinality: 1
subclass of: Restriction
  on property: is moiety of
  some values from: substance
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, Figure 20
definition: entity within a substance that has a complete and continuous molecular structure
example: The strength of a medicinal product is often based on what is referred to as the active moiety of the molecule, responsible for the physiological or pharmacological action of the drug substance. To avoid ambiguity, the free acid and/or free base should be used as the moiety upon which strength is based.
note: The active moiety of a stoichiometric or non-stoichiometrical substance molecule is considered that part of the molecule that is the base, free acid or ion molecular part of a salt, solvate, chelate, clathrate, molecular complex or ester.
note: The moiety subclause serves for the description of both the moiety and the other fragment constituting the substance. The Element Group Moiety is attached to the element class Chemical in order to describe a salt, solvate and co-crystal relationship to the active moiety in an unambiguous way with respect to the description of the molecular formula and sometimes the official names. The Element Group Amount is attached to Moiety. This will help to describe salts, solvates, hydrated substances and co-crystallizing agents in a more unambiguous way with respect to the description of the molecular formula and sometimes official names. Each moiety within the chemical substance is to be identified and the composition range of the moieties when known is to be provided by means of the following data elements: If the numeric value of the element 'Number of Moieties' is equal to 1, the class Moiety should not be used; otherwise the class shall always be mandatory.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.45

moiety identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: moiety
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 19
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.6 and Figure 20
definition: unique identifier for an entity within a substance that has a complete and continuous molecular structure
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-II

moiety name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: moiety
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 19
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.6 and Figure 20
definition: name or company code associated with the moiety
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-ST

moiety role
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isPlayedBy
  on class: moiety
  min qualified cardinality: 0
subclass of: Restriction
  on property: isApplicableIn
  some values from: regulatory context
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 19
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.6 and Figure 20
definition: functional role played by a moiety in some substance or product
example: counter-ion, solvate, hydrate, parent, base, acid, co-crystallizing agent
note: The role of the moiety should be specified if there is a specific role the moiety is playing. In addition to the moiety role for chemicals, for many peptides, the moiety role of counter-ions such as acetate should be indicated.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

molecular composition
type: Class
subclass of: Composition
subclass of: Restriction
  on property: hasConstituent
  all values from: molecular constituent
subclass of: Restriction
  on property: defines
  some values from: substance
definition: constituency of a substance in terms of its molecular entities
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

molecular constituent
type: Class
subclass of: Constituent
subclass of: Restriction
  on property: has granular molecular part
  all values from: molecular entity
subclass of: Restriction
  on property: has granular molecular part
  some values from: molecular entity
subclass of: Restriction
  on property: isConstituentOf
  some values from: molecular composition
definition: scattered molecular entities of the same type that make up the constituency of a substance at the molecular level
example: Acid substances consist of molecules that play the role of an acid.
example: Ester substances consist of molecules that have an ester molecular group.
example: Water as substance is classified by the scattered water molecules as molecular constituent although it will contain many other molecules, depending on purity or grade.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
explanatory note: Matter that is classified by the same constituent molecular entity are usually called chemical substances (compounds or elements), but this is a different chemical substance concept than the one defined in the IDMP-O ontology.

molecular entity
type: Class
subclass of: matter
disjoint with: substance
definition: constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity
has conformance to ISO level: ConformanceToISOLevel-Extension
direct source: PAC, 1994, 66, 1077. (Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)) on page 1142

molecular formula
type: Class
subclass of: Expression
subclass of: Restriction
  on property: hasTextValue
  some values from: string
definition: chemical formula that shows the total number and kind of atoms in a molecule indicating atomic proportional ratios (the numerical proportions of atoms of one type to those of other types) which is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols, numbers, and sometimes other symbols
note: Inorganic acids and metal salts are shown without charges or bonds: HClO4 and KMnO4 respectively. If metal salts of inorganic acids include several metals, the symbols for the metals are shown in alphabetic order, e.g. K2NaPO4.
note: Molecular formulas are written in accordance with the Hill system / Hill notation such that the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms next, and then the number of all other chemical elements subsequently, in alphabetic order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically.
note: The molecular formula could contain other symbols, such as parentheses, dashes, brackets, and plus (+) and minus (−) signs. These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula contains no words (e.g. Glucose is represented as C6H12O6).
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.46

molecular formula by moiety
type: Class
subclass of: molecular formula
definition: way of describing of the molecular formula of a stoichiometric or non-stoichiometric substance existing of two or more moieties, the molecular formula of each moiety shall be described separated by a dot
example: The molecular formula of the chemical salt Amlodipine besilate is described as C20H25ClN2O5.C6H6O3S.
note: In non-cyclic linear structures like sodium nitroprusside: Na2[Fe(CN)5(NO)].2H2O, a non-cyclic structure is constructed in the following order: a) symbol of the central atom placed on the left; b) ionic ligands with cations first then anions; c) neutral ligands.
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.47

molecular fragment
type: Class
subclass of: molecular constituent
subclass of: Restriction
  on property: isIdentifiedBy
  all values from: molecular fragment identifier
subclass of: Restriction
  on property: hasName
  all values from: molecular fragment name
subclass of: Restriction
  on property: has defining structure
  all values from: molecular structure
subclass of: Restriction
  on property: has amount
  on class: amount
  max qualified cardinality: 1
subclass of: Restriction
  on property: has granular molecular part
  some values from: molecular group
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.4.3 and Figure 20
definition: portion of a molecule that has one or more sites of attachment to other fragments or moieties
editorial note: By IDMP definition a molecular fragment is a part of a molecule, but it is referenced by a substance id. The substance here is used as proxy for the type of molecule.
has conformance level: conformance level - conditional
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.48
usage note: Molecular fragments are used in the description of polymers to represent substituents and in structural modifications to a substance.

molecular fragment identifier
type: Class
subclass of: substance identifier
subclass of: Restriction
  on property: identifies
  some values from: molecular fragment
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.4.3 and Figure 20
definition: unique identifier assigned to the substance representing the fragment based on the ISO 11238 substance controlled vocabulary
has business rules: If the Molecular Fragment ID is not available, a new ID shall be assigned with the submission.
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
synonym: molecular fragment ID

molecular fragment name
type: Class
subclass of: ContextualName
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.4.3 and Figure 20
definition: official name of a molecular fragment
has business rules: ISO 11238 substance preferred name is selected as default value. The substance name is implicit and derived from the Moiety ID.
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 substance name
is encoded as: DatatypeCode-ST

molecular fragment role
type: Class
subclass of: Undergoer
subclass of: Restriction
  on property: undergoes
  some values from: modification
subclass of: Restriction
  on property: isPlayedBy
  some values from: molecular fragment
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.4.3 and Figure 20
definition: role of the molecular fragment that undergoes a modification
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

molecular graph
type: Class
subclass of: structural representation
subclass of: Diagram
subclass of: Restriction
  on property: has rendering
  on data range: anyURI
  qualified cardinality: 1
definition: single chemical structure that is an unambiguous representation of the arrangement of atoms, normalized to conform with the International Union of Pure and Applied Chemistry (IUPAC) specification for drawing chemical structures to the degree possible
has conformance to ISO level: ConformanceToISOLevel-Extension
explanatory note: A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds.
synonym: chemical graph

molecular graph identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: molecular graph
definition: unique identifier for a molecular graph representing a single chemical structure
has conformance to ISO level: ConformanceToISOLevel-Extension

molecular group
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: comprises
  some values from: atom
subclass of: Restriction
  on property: isPartOf
  some values from: molecular entity
definition: defined linked collection of atoms or a single atom within a molecular entity
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: PAC, 1994, 66, 1077. (Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)) on page 1118
explanatory note: This use of the term in physical organic and general chemistry is less restrictive than the definition adopted for the purpose of nomenclature of organic compounds.
explanatory note: portion of a molecule that has one or more sites of attachment to other fragments or moieties
synonym: chemical group

molecular structure
type: Class
subclass of: structure
subclass of: Restriction
  on property: isDescribedBy
  some values from: structural representation
definition: unambiguous representation of the arrangement of atoms
note: For the purposes of defining substances, the three-dimensional conformations are not captured. Individual conformations or conformers of substances would only be captured in either a general sense for proteins (i.e. denatured) or when a given rotation about a single bond is restricted in such a way that the two different conformers are isolatable from each other and do not interconvert at room temperature (e.g. substituted biphenyls).
note: Structural representations shall include the complete molecular structure with all known stereochemistry indicated. Molecular fragments and moieties shall also contain structural representations. The structure is a defining element for chemicals, polymers and structural modifications. It should be defined in a consistent and unambiguous manner. The Structural Representation can cover complex substances like proteins and nucleic acid by graphical representation.
note: The structure shall contain a sufficient amount of graphical and textual information to define the underlying atoms and the connectivity between atoms as well as the composition ratio of moieties.
note: This representation should be generally translatable into a graphical representation.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.49, 7.2.1
explanatory note: A molecular structure describes the topological and spatial positions of the atoms in a molecule. It does so at a certain level of precision and from a specific perspective. The relative spatial position of atoms is not fixed, a molecule bends and twists, and even the topology of bonds can change constantly in time. Thus it is only simple model of real atoms and molecules.
usage note: While certain diagrams, such as Figure 14 in the ISO 11238:2018 show attributes such as stereochemistry, optical activity, and molecular formulas as characteristics of structure, from an ontological perspective these characteristics are actually characteristics of a moiety or chemical substance and are modeled as such herein.

molecular structure identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: molecular structure
definition: unique identifier for the unambiguous representation of the arrangement of atoms for a given substance
has conformance to ISO level: ConformanceToISOLevel-Extension

molecular weight
type: Class
subclass of: ScalarQuantityValue
subclass of: Restriction
  on property: isClassifiedBy
  on class: molecular weight type
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: molecular weight method
  qualified cardinality: 1
subclass of: Restriction
  on property:
    inverse of: hasQuantityValue
  some values from: Class
    union of: molecular entity
    union of: physical substance
definition: mass of one molecule of a homogenous substance or the average mass of molecules that comprise a heterogeneous substance, which is derived from the molecular structure or the molecular formula
note: For a substance not described in a Pharmacopoeia a mass spectrum may be provided to substantiate the calculated molecular weight.
note: For polymers, there are several different types of molecular weight (weight average, number average, etc.).
note: For stoichiometric chemicals, the molecular weight is calculated from the molecular formula using standard masses for each of the elements. The molecular mass refers to the complete structure or a moiety or a fragment.
note: It is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula. The unified atomic mass unit is the unit of molecular weight and includes the type of molecular weight (g/mol).
note: The unified atomic mass unit or Dalton is the unit of molecular weight. The type of molecular weight should always be captured.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.50

molecular weight method
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: molecular weight
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.7
definition: classifier for the method used to determine molecular weight
example: SDS-PAGE (sodium dodecyl sulfate-polyacrylamide gel electrophoresis), calculated, light scattering, viscosity, gel permeation, end-group analysis, end-group titration, size-exclusion chromatography
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 20-23
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

molecular weight type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: molecular weight
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.7
definition: classifier for the nature of the molecular weight
example: exact, average (also known as. number average), weight average
has business rules: If known, it shall be provided.
has conformance level: conformance level - conditional
has values allowed: number average, Mn; viscosity average, Mv; weight average, Mw; and Z-average, Mz
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 20-23
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

molecule
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: comprises
  on class: atom
  min qualified cardinality: 2
subclass of: Restriction
  on property: has structure
  some values from: molecular structure
definition: electrically neutral entity consisting of more than one atom (n>1)
has conformance to ISO level: ConformanceToISOLevel-Extension
direct source: PAC, 1994, 66, 1077. (Glossary of terms used in physical organic chemistry (IUPAC Recommendations 1994)) on page 1143

molfile
type: Class
subclass of: structural representation
subclass of: Restriction
  on property: isClassifiedBy
  has value: structural representation type - molfile
subclass of: Restriction
  on property: hasVersion
  max qualified cardinality: 1
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: specification for a widely used, non-linear chemical structure file format that includes: (1) a list of atoms, specifying the elemental identity of each atom, (2) a list of bonds, specifying the atoms that it connects and the bond multiplicity (single, double, triple), (3) 2D or 3D spatial coordinates for each atom, (4) counts of the number of atoms and bonds in the molecule, (5) attributes associated with the atoms or bonds (e.g. R/S configuration of a stereocenter; dashed/wedged bond, and (6) attributes associated with an entire structure (e.g. net charge).
note: The molfile format was predominantly developed by MDL Information Systems. There are two versions in use today: V2000 and the extended molfile format V3000. The extended molfile format has enhanced stereochemistry descriptors that allow relative, unknown and racemic designations to be associated with each chiral atom. The V2000 format is widely used and interconversion between it and other formats can readily occur. Unlike other representations, the molfile format is not a linear representation but is predominantly tabular.
abbreviation: MOL

monodisperse substance
type: Class
subclass of: single substance
disjoint with: polydisperse substance
definition: single substance that is homogeneous in molecular weight, that is, it does not have a distribution of different molecular weight chains within the total mass
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1 and Figure 5
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.51

monomer amount type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: monomer set description
subclass of: Restriction
  on property: denotes
  all values from: monomer set description
definition: classifier that indicates how the ratio of the monomer or the structural repeat unit (SRU) to the entire polymer is captured
example: Monomer/Polymer ratio, SRU/Polymer Ratio
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

monomer set description
type: Class
subclass of: Specification
subclass of: Restriction
  on property: isClassifiedBy
  on class: monomer amount type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has number of monomers
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: describes
  some values from: polymer substance
definition: classifier specifying and quantifying the monomers used for the synthesis of the polymer or copolymer
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.2 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

nucleic acid substance
type: Class
subclass of: monodisperse substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - nucleic acid
subclass of: Restriction
  on property: isClassifiedBy
  on class: oligo nucleotide type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has area of hybridization
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: isClassifiedBy
  on class: nucleotide sequence type
  qualified cardinality: 1
subclass of: Restriction
  on property: has number of subunits
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: hasConstituent
  some values from: nucleic acid subunit
disjoint with: polymer substance
disjoint with: protein substance
disjoint with: structurally diverse substance
definition: single substance that can be defined by a linear sequence of nucleosides typically linked through phosphate or phosphate-like diester bonds
note: Nucleic acids are defined by three distinct elements: the base, sugar and linkage. Individual substance/moiety IDs will be created for each of these elements. The nucleotide sequence will be always entered in the 5'-3' direction. The nucleic acid set of elements are only to be used to describe nucleic acids that have: — A length greater than three bases or base pairs; — Elements to be used for oligonucleotides; — Genes used in gene therapy; — Any nucleic acid aptamers. For the description of nucleic acids, the following information can be used to assign Substance IDs: — Nucleotide Sequence; — Sugar or sugar-like entities; — Linkage (typically phosphate); — Nucleic Acid Type (RNA, DNA, plasmid, single or double stranded); — Any Modifications to the substance either sequence specific (i.e. modified or unnatural base, sugar, phosphate linkage) or non-sequence specific modifications.
note: The sequence of the nucleic acid, the type (RNA, DNA, plasmid, single or double stranded), sugar or sugar-like entities, linkage (typically phosphate), together with any modifications that affect the molecular structure, shall be the defining elements for nucleic acid substances.
note: The type of nucleic acid substance, e.g. ribonucleic acid (RNA) and deoxyribonucleic acid (DNA), is also identified. Oligonucleotides and gene elements, e.g. promoters, enhancers, coding sequences and silencers, are defined as nucleic acid substances.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.2.1 and 7.3 and Figures 5 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.54, 7.5

nucleic acid subunit
type: Class
subclass of: Constituent
subclass of: Restriction
  on property: has five prime substance name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has three prime substance name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has sequence attachment
  on class: Reference
  max qualified cardinality: 1
subclass of: Restriction
  on property: has five prime substance identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has three prime substance identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: is interconnected via
  on class: linkage
  min qualified cardinality: 0
subclass of: Restriction
  on property: is supported by
  on class: sugar
  min qualified cardinality: 0
subclass of: Restriction
  on property: has sequence length
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: has subunit index
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: has nucleotide sequence
  on data range: string
  qualified cardinality: 1
definition: constituent of a nucleic acid
note: Subunits are listed in order of decreasing length; sequences of the same length will be ordered by molecular weight; subunits that have identical sequences will be repeated multiple times.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.2.1 and 7.3 and Figures 5 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.54, 7.5

nucleotide sequence type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: nucleic acid substance
subclass of: Restriction
  on property: denotes
  all values from: nucleic acid substance
definition: classifier that indicates the nature of the nucleotide sequence
example: complete, partial
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
synonym: sequence type
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

nuclide
type: Class
subclass of: atom
subclass of: Restriction
  on property: has neutron number
  on data range: nonNegativeInteger
  qualified cardinality: 1
subclass of: Restriction
  on property: has mass number
  on data range: positiveInteger
  qualified cardinality: 1
source: Compendium of Terminology in Analytical Chemistry, IUPAC Orange Book, 2nd ed., p. 233
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
source: PAC, 1982, 54, 1533. (Glossary of terms used in nuclear analytical chemistry (Provisional)) on page 1547
source: PAC, 1994, 66, 2513. (Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994)) on page 2522
definition: species of atom, characterized by its mass number, atomic number and nuclear energy state, provided that the mean life in that state is long enough to be observable
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2 and Figure 14

nuclide identifier
type: Class
subclass of: substance identifier
subclass of: Restriction
  on property: classifies
  some values from: nuclide
subclass of: Restriction
  on property: identifies
  some values from: isotope
definition: identifies an isotope and thereby classifies the nuclide that the isotope consists of
note: A Substance ID for each non-natural or radioisotope is created. The ID is linked to a single atom zero valence element.
has business rules: Mandatory when substance contains non-natural or radioisotope.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.1

nuclide name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: nuclide
definition: name or company code associated with the nuclide
example: CARBON ¹³C
example: ¹⁸F-Fluoride
has business rules: This element is Mandatory when substance contains non-natural or radioisotope. Implicitly derived from Nuclide ID.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance names
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.2

official name
type: Class
subclass of: substance name
subclass of: Restriction
  on property: has substance name type
  has value: substance name classifier - official name
subclass of: Restriction
  on property: has official name status change date
  min qualified cardinality: 0
  on data range: string
subclass of: Restriction
  on property: isClassifiedBy
  some values from: official name status
subclass of: Restriction
  on property: isRegisteredBy
  some values from: Class
    union of: Registrar
    union of: RegistrationAuthority
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.55
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.1
definition: name given by an official registration authority/organization
note: Any authority which assigns official names shall typically do so in a publication, and as such, referencing the publication is sufficient indication for the name being 'official' and sufficient representation for the 'official name type'. When new official names are issued by official naming bodies, the naming bodies will be reflected in this terminology.
usage note: Rather than creating an independent code for the representation of the registration authority, the property 'is registered by' must be used to link to the authority responsible for such registration in the context of this ontology. Note that this approach allows for linking to all relevant authorities, as required by the ISO standard.

official name status
type: Class
subclass of: state
subclass of: ISO21090-ConceptDescriptor
subclass of: Restriction
  on property: classifies
  all values from: official name
subclass of: Restriction
  on property: denotes
  all values from: official name
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
equivalent class: Class
  one of: official name status - alternate
  one of: official name status - current
  one of: official name status - primary
  one of: official name status - proposed
  one of: official name status - superseded
definition: classifier that indicates the status of an official name from a pre-defined ISO 19844 code set
example: Current, Alternate, Superseded, Proposed, Primary
has business rules: Each official name shall have a single status. The fact that a name is alternate is evident by having more than one name assigned to the same substance by the same authority for the same language, domain, etc.
has conformance level: conformance level - conditional
has values allowed: Current, Alternate, Superseded, Proposed, Primary
is encoded as: DatatypeCode-CD

official name status - alternate
type: NamedIndividual
type: official name status
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: status of an official name that is considered a synonym for the primary official name
note: The fact that a name is alternate is evident by having more than one name assigned to the same substance by the same authority for the same language, domain, etc.
is member of: ISO 11238 - official name status
is defined in: ISO 11238 - official name status
has text value: Alternate

official name status - current
type: NamedIndividual
type: official name status
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: status of an official name that is presently in use
is member of: ISO 11238 - official name status
is defined in: ISO 11238 - official name status
has text value: Current

official name status - primary
type: NamedIndividual
type: official name status
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: status of an official name that is the main official name approved for use
is member of: ISO 11238 - official name status
is defined in: ISO 11238 - official name status
has text value: Proposed

official name status - proposed
type: NamedIndividual
type: official name status
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: status of an official name that has been proposed for use but has not yet be formally adopted
is member of: ISO 11238 - official name status
is defined in: ISO 11238 - official name status
has text value: Proposed

official name status - superseded
type: NamedIndividual
type: official name status
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.2
definition: status of an official name that was formerly in use and has been replaced
is member of: ISO 11238 - official name status
is defined in: ISO 11238 - official name status
has text value: Superseded

oligo nucleotide type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: nucleic acid substance
subclass of: Restriction
  on property: denotes
  all values from: nucleic acid substance
definition: classifier that distinguishes a single stranded oligo nucleotide from a double stranded gene or rDNA vaccine
example: Single-stranded DNA; Double-stranded DNA
has conformance level: conformance level - conditional
has values allowed: Single-stranded DNA; Double-stranded DNA; Single-stranded RNA; Double-stranded RNA
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

oligo nucleotide type - double-stranded DNA
type: NamedIndividual
type: oligo nucleotide type
definition: classifier for an oligo nucleotide indicating that it is a double-stranded DNA
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
is member of: ISO 11238 - oligo nucleotide type vocabulary
is defined in: ISO 11238 - oligo nucleotide type vocabulary
has text value: Double-stranded DNA

oligo nucleotide type - double-stranded RNA
type: NamedIndividual
type: oligo nucleotide type
definition: classifier for an oligo nucleotide indicating that it is a double-stranded RNA
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
is member of: ISO 11238 - oligo nucleotide type vocabulary
is defined in: ISO 11238 - oligo nucleotide type vocabulary
has text value: Double-stranded RNA

oligo nucleotide type - single-stranded DNA
type: NamedIndividual
type: oligo nucleotide type
definition: classifier for an oligo nucleotide indicating that it is a single-stranded DNA
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
is member of: ISO 11238 - oligo nucleotide type vocabulary
is defined in: ISO 11238 - oligo nucleotide type vocabulary
has text value: Single-stranded DNA

oligo nucleotide type - single-stranded RNA
type: NamedIndividual
type: oligo nucleotide type
definition: classifier for an oligo nucleotide indicating that it is a single-stranded RNA
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
is member of: ISO 11238 - oligo nucleotide type vocabulary
is defined in: ISO 11238 - oligo nucleotide type vocabulary
has text value: Single-stranded RNA

optical activity
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: optical rotation
subclass of: Restriction
  on property: denotes
  all values from: optical rotation
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 14
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.2
equivalent class: Class
  one of: optical activity - either direction
  one of: optical activity - left
  one of: optical activity - none
  one of: optical activity - not applicable
  one of: optical activity - right
definition: classifier specifying the ability of a chemical substance to rotate the plane of vibration of polarized light to the right or left
example: (+/-), (+), (-), None, N/A, Unknown
note: The extent of optical rotation is not mandatory at the substance level.
has business rules: Shall be entered if known for substances that have at least one moiety with stereochemistry defined as chiral. Can be a defining element when the absolute stereo configuration is not known.
has conformance level: conformance level - conditional
has values allowed: (+/-), (+), (-), None, N/A
is encoded as: DatatypeCode-CD

optical activity - either direction
type: NamedIndividual
type: optical activity
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: optical activity indicating the ability of a chemical substance to rotate the plane of vibration of polarized light either to the right or left
is member of: ISO 11238 - optical activity vocabulary
is defined in: ISO 11238 - optical activity vocabulary
has text value: (+/-)

optical activity - left
type: NamedIndividual
type: optical activity
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: optical activity indicating the ability of a chemical substance to rotate the plane of vibration of polarized light to the left
is member of: ISO 11238 - optical activity vocabulary
is defined in: ISO 11238 - optical activity vocabulary
has text value: (-)

optical activity - none
type: NamedIndividual
type: optical activity
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: optical activity indicating that a chemical substance has no ability to rotate the plane of vibration of polarized light
is member of: ISO 11238 - optical activity vocabulary
is defined in: ISO 11238 - optical activity vocabulary
has text value: None

optical activity - not applicable
type: NamedIndividual
type: optical activity
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: optical activity indicating that optical activity does not apply to a chemical substance
is member of: ISO 11238 - optical activity vocabulary
is defined in: ISO 11238 - optical activity vocabulary
has text value: None

optical activity - right
type: NamedIndividual
type: optical activity
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: optical activity indicating the ability of a chemical substance to rotate the plane of vibration of polarized light to the right
is member of: ISO 11238 - optical activity vocabulary
is defined in: ISO 11238 - optical activity vocabulary
has text value: (+)

optical rotation
type: Class
subclass of: ScalarQuantityValue
subclass of: Restriction
  on property:
    inverse of: hasQuantityValue
  some values from: Class
    union of: material
    union of: physical substance
definition: angle of rotation of polarized light when transmitting through material
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: PAC, 1996, 68, 2193. (Basic terminology of stereochemistry (IUPAC Recommendations 1996)) on page 2212
explanatory note: A sample of material able to rotate the plane of polarization of a beam of transmitted plane-polarized light is said to possess optical activity (or to be optically active). This optical rotation is the classical distinguishing characteristic (sufficient but not necessary) of systems containing unequal amounts of corresponding enantiomers. An enantiomer causing rotation in a clockwise direction (when viewed in the direction facing the oncoming light beam) under specified conditions is called dextrorotatory and its chemical name or formula is designated by the prefix (+)-; one causing rotation in the opposite sense is laevorotatory and designated by the prefix (−)-. Materials with optical activity also exhibit other chiroptic phenomena.

order
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic category between class and family
example: Ginkgoales
note: A taxonomic order represents a group of organisms that although differing quite a bit among themselves still have a large degree of characteristics in common.
has business rules: This is derived from the species and is referenced from an appropriate terminology/taxonomy. Catalogue of Life typically captures complete taxonomy in a manner consistent with this standard.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: ORDER: CD

organism
type: Class
subclass of: Specification
subclass of: Restriction
  on property: isClassifiedBy
  on class: genus
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: intraspecific type
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: kingdom
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: order
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: phylum
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: species
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: taxonomic class
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: taxonomic family
  max qualified cardinality: 1
subclass of: Restriction
  on property: has intraspecific description
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: author
  min qualified cardinality: 0
subclass of: Restriction
  on property: isClassifiedBy
  on class: development stage
  min qualified cardinality: 0
subclass of: Restriction
  on property: isIdentifiedBy
  on class: organism identifier
  min qualified cardinality: 0
subclass of: Restriction
  on property: hasName
  on class: organism name
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  on class: organism part
  min qualified cardinality: 0
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: specifies
  some values from: physical organism
definition: specification for an individual living entity that can react to stimuli reproduce, grow, and maintain homeostasis
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.56, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.9.4, 6.9.5

organism fraction
type: Class
subclass of: Constituent
subclass of: Specification
subclass of: Restriction
  on property: isClassifiedBy
  on class: organism fraction material type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has fragment description
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: isIncludedIn
  some values from: organism part
definition: specification for a fraction of a constituent of an individual living entity of anatomical origin of source material within an organism
note: Many complex materials are fractions of parts of plants, animals, or minerals. Fraction elements are often necessary to define both substances and specified group 1 substances. For substances derived from plants, fraction information will be captured at the substance information level (e.g. oils, juices and exudates). Additional information for extracts, such as extraction solvent composition, will be captured at the specified substance group 1 information level. For plasma-derived products fraction information will be captured at the substance and the specified substance group 1 levels. If there is a fraction, the class 'fraction description' is mandatory.
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.12
explanatory note: A fraction in the context of ISO 11238 is a fraction of a part of an organism, although 'part' can be a whole organism. It is a result of a fractionation process, and is specific to the part.
synonym: FRACTION_DESCRIPTION
synonym: fraction description

organism fraction material type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: Class
    union of: organism fraction
    union of: physical organism fraction
definition: classifier and code for the specific type of the material constituting the organism fraction
example: Lipid; Phospholipid; Protein; Nucleic acid; Herbal; Liquid/Dry Herbal extract; Herbal part; Biological fluid; Herbal extract; Liquid Herbal Extract; Dry Ethanolic Extract; Herbal, Leaf; Botanical, Herbal, Polysaccharide
note: For Herbal preparations, the particulars of the extracts (liquid/dry) are described in Specified Substance Group 1.
has business rules: When the herbal substance is derived from a fraction of the plant, the description of the fraction is required.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.12
synonym: MATERIAL_TYPE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

organism identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: Class
    union of: organism
    union of: physical organism
definition: unique identifier associated with the source material parent organism
example: The substance Ginkgo biloba L. Leaf has an Organism ID belonging to the Organism Ginkgo biloba L.
note: This ID might or might not be the parent ID of the substance.
has business rules: For Herbals, this element shall be Mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-II
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.4, Figure 19

organism name
type: Class
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: Class
    union of: organism
    union of: physical organism
subclass of: Restriction
  on property: isRegisteredBy
  some values from: Class
    union of: Registrar
    union of: RegistrationAuthority
definition: organism accepted scientific name based on the organism taxonomy
example: Ginkgo biloba L.; Harpagophytum procumbens (Burch.) DC. ex Meisn.
has business rules: For Herbals, this element shall be Mandatory. The accepted scientific name for plants is provided by Kew Gardens' Medicinal Plant Names Services (MPNS). The names for other organisms will be provided by other authoritative sources.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.5, Figure 19

organism part
type: Class
subclass of: Constituent
subclass of: Specification
subclass of: Restriction
  on property: isClassifiedBy
  on class: organism part location
  max qualified cardinality: 1
subclass of: Restriction
  on property: comprises
  on class: organism fraction
  min qualified cardinality: 0
subclass of: Restriction
  on property: isIdentifiedBy
  on class: organism part identifier
  min qualified cardinality: 0
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: isIncludedIn
  some values from: organism
subclass of: Restriction
  on property: specifies
  some values from: physical organism part
definition: specification for an entity of anatomical origin and location of source material within an organism
example: cartilage, root and stolon; whole plant is considered as a part, aerial part of the plant; leaf, tuberous root, whole animal, venom, intestinal mucosa
has conformance level: conformance level - mandatory
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.5.7 and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.11
explanatory note: An organism 'part', which in some cases may be a whole organism, represents the part of an organism that is harvested. For example, for flu vaccines, the envelope part of the virus is separated and then fractionated for use in the vaccine.
synonym: PART_DESCRIPTION
synonym: part description

organism part identifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: Class
    union of: organism part
    union of: physical organism part
definition: identifier and code for a constituent of an individual living entity of anatomical origin of source material within an organism
has business rules: Depending on the Source Material Type values (e.g. human/mammalian or plant) the relevant controlled vocabulary applies (e.g. organism or plant). A controlled vocabulary for plant parts is maintained by Kew Gardens Medicinal Plant Names Services.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.11
synonym: PART: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

organism part location
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: Class
    union of: organism part
    union of: physical organism part
definition: classifier and code for the detailed anatomic location when the part can be extracted from different anatomical locations of the organism
example: For cartilage: knee, elbow, stomach, shoulder
note: When multiple alternative locations may apply, the part description (OrganismPart) class will be repeated for each value.
has business rules: Applicable only if 'Source Material Type' is human or mammalian. Not applicable for Herbals.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.11
synonym: PART_LOCATION: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

orientation of polymerization
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: structural repeat unit
definition: classifier specifying the orientation and possibly connection points between structural repeat units
example: head-tail, head-head, random
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.2 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

parameter
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: has amount
  on class: amount
  min qualified cardinality: 0
subclass of: Restriction
  on property: hasNumericValue
  min qualified cardinality: 0
  on data range: decimal
subclass of: Restriction
  on property: hasTextValue
  min qualified cardinality: 0
  on data range: string
subclass of: Restriction
  on property: hasName
  some values from: parameter name
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.6.3, 7.6.4.3, 8.1.7.7 and figures 20, 34, 35, 37
definition: named expression of a numeric, textual or amount value or range that is input to some method or function, or states metadata or qualifiers about some characteristic
has conformance level: conformance level - conditional

parameter name
type: Class
subclass of: ContextualName
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.6.3, 7.6.4.3, 8.1.7.7 and Figures 20, 34, 35, 37
definition: name of a parameter
note: name of a parameter that is unique in the context where the parameter is applied
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST

pharmacopoeial grade
type: Class
subclass of: Specification
definition: specification indicating the quality of a substance or specified substance
has conformance to ISO level: ConformanceToISOLevel-ModelConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.33 and 8.5.3
synonym: grade
usage note: Grade shall be indicated for both Specified Substance Group 3 and Group 4.

pharmacopoeial grade classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: pharmacopoeial grade
definition: classifier for a specification indicating the quality of a substance or specified substance
example: Compendial
example: In-house
example: JP, ed. XVI
example: Ph.Eur.
example: USP
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 8.3.7.10.5.2.3 and F.3.7.4
synonym: pharmacopoeial grade type
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

pharmacopoeial grade name
type: Class
subclass of: ContextualName
definition: name in accordance with the pharmacopeia
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause F.3.7.4

phylum
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: major division of a biological kingdom, consisting of closely-related classes
example: Tracheophyta
note: Phylum represents a basic fundamental pattern of organization and, presumably, a common descent.
has business rules: This is derived from the species and is referenced from an appropriate terminology/taxonomy. Catalogue of Life typically captures complete taxonomy in a manner consistent with this standard.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: PHYLUM: CD

physical characteristic
type: Class
subclass of: Aspect
definition: characterization of matter (or a specification thereof) based on physically observable properties of the matter
example: a distribution of molecular weight
example: a matching mass spectrum
example: a specified mass range
example: a specified optical activity
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11615:2017 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated medicinal product information, clause 9.6.2.21
explanatory note: Such properties are usually characterized by specific or ranges of quantity values, but can be also more complex properties such as statistical distributions or a match with some reference spectrum.

physical manufactured item
type: Class
subclass of: Product
subclass of: Restriction
  on property: comprises
  on class: Class
    union of: material
    union of: physical substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: isProducedBy
  some values from: manufacturer
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.38
definition: good that embodies the qualitative and quantitative composition of a product as contained in the packaging of the medicinal product
note: A medicinal product may contain one or more manufactured items. In many instances the manufactured item is equal to the pharmaceutical product. However, there are instances where the manufactured item(s) undergo a transformation before being administered to the patient (as the pharmaceutical product) and the two are not equal.
has conformance to ISO level: ConformanceToISOLevel-Extension

physical modification method
type: Class
subclass of: modification method
subclass of: Restriction
  on property: has modification type
  has value: modification method type - physical
subclass of: Restriction
  on property: has number of parameters
  max qualified cardinality: 1
  on data range: integer
subclass of: Restriction
  on property: has parameter
  on class: parameter
  min qualified cardinality: 0
subclass of: Restriction
  on property: has physical modification role
  on data range: string
  qualified cardinality: 1
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
definition: method of modification where no new covalent bonds are formed
has conformance to ISO level: ConformanceToISOLevel-Extension

physical organism
type: Class
subclass of: material
subclass of: Restriction
  on property: comprises
  on class: physical organism part
  min qualified cardinality: 0
definition: individual living entity that can react to stimuli reproduce, grow, and maintain homeostasis
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.56

physical organism fraction
type: Class
subclass of: material
subclass of: Constituent
subclass of: Restriction
  on property: isIncludedIn
  some values from: physical organism part
definition: fraction of a constituent of a living entity of anatomical origin, i.e., of an organism, from which source material is derived
note: Many complex materials are fractions of parts of plants, animals, or minerals. Fraction elements are often necessary to define both substances and specified group 1 substances. For substances derived from plants, fraction information will be captured at the substance information level (e.g. oils, juices and exudates). Additional information for extracts, such as extraction solvent composition, will be captured at the specified substance group 1 information level. For plasma-derived products fraction information will be captured at the substance and the specified substance group 1 levels. If there is a fraction, the class 'fraction description' is mandatory.
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.12

physical organism part
type: Class
subclass of: material
subclass of: Constituent
subclass of: Restriction
  on property: isIncludedIn
  some values from: physical organism
definition: entity of anatomical origin and location of source material within an organism
example: cartilage, root and stolon; whole plant is considered as a part, aerial part of the plant; leaf, tuberous root, whole animal, venom, intestinal mucosa
has conformance level: conformance level - mandatory
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.5.7 and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.11

physical substance
type: Class
subclass of: matter
subclass of: Restriction
  on property: has optical activity
  on class: optical activity
  max qualified cardinality: 1
subclass of: Restriction
  on property: has reference information
  on class: reference information
  max qualified cardinality: 1
subclass of: Restriction
  on property: hasConstituent
  on class: moiety
  min qualified cardinality: 0
subclass of: Restriction
  on property: has molecular weight
  on class: molecular weight
  min qualified cardinality: 0
subclass of: Restriction
  on property: has structure
  on class: structure
  min qualified cardinality: 0
subclass of: Restriction
  on property: has substance name
  on class: substance name
  min qualified cardinality: 0
subclass of: Restriction
  on property: has number of moieties
  min qualified cardinality: 0
  on data range: integer
subclass of: Restriction
  on property: isSpecifiedIn
  some values from: substance
subclass of: Restriction
  on property: isIdentifiedBy
  some values from: Class
    union of: substance code
    union of: substance identifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.84
see also: Keet, C.M. A core ontology of macroscopic stuff. 19th International Conference on Knowledge Engineering and Knowledge Management (EKAW'14). K. Janowicz et al. (Eds.). 24-28 Nov, 2014, Linkoping, Sweden. Springer LNAI vol. 8876, 209-224.
see also: Keet, C.M. Relating some stuff to other stuff. 20th International Conference on Knowledge Engineering and Knowledge Management (EKAW'16). Springer LNAI, 19-23 November 2016, Bologna, Italy. (in print)
disjoint with: substance
definition: matter of defined composition that has discrete existence, whose origin may be biological, mineral or chemical
note: A substance can be a moiety. A moiety is an entity within a substance that has a complete and continuous molecular structure. The strength of a pharmaceutical product is often based on what is referred to as the active moiety of the molecule, responsible for the physiological or pharmacological action of the drug substance. Chemically, the active moiety of a stoichiometric or non-stoichiometric substance molecule is considered that part of the molecule that is the base, free acid or ion molecular part of a salt, solvate, chelate, clathrate, molecular complex or ester.
has conformance to ISO level: ConformanceToISOLevel-Extension

polydisperse substance
type: Class
subclass of: substance
definition: substance containing multiple related entities
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.62
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1 and Figure 5
usage note: Polydisperse substances include polymers, mixture and structurally diverse material isolated from a single source. Chemical substances, proteins and nucleic acids with defined sequences are not described as polydisperse substances.

polymer class
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: polymer substance
subclass of: Restriction
  on property: denotes
  all values from: polymer substance
definition: classifier that indicates the nature of the polymer substance
example: homopolymer, copolymer
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.1 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

polymer geometry
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: polymer substance
subclass of: Restriction
  on property: denotes
  all values from: polymer substance
definition: classifier that indicates the geometry of the polymer substance
example: linear, branched, cross-linked, network, dendritic, star, comb, brush
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4.2 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

polymer starting material
type: Class
subclass of: substance
subclass of: Restriction
  on property: has amount
  on class: amount
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: polymer starting material type
  qualified cardinality: 1
subclass of: Restriction
  on property: has starting material name
  on class: substance name
  qualified cardinality: 1
subclass of: Restriction
  on property: has starting material identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  qualified cardinality: 1
subclass of: Restriction
  on property: is defining element
  on data range: boolean
  qualified cardinality: 1
definition: specification that identifies and quantifies the starting materials, which are the monomer(s) used in the synthesis of the polymer
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
synonym: monomer
synonym: small molecule

polymer starting material type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: polymer starting material
subclass of: Restriction
  on property: denotes
  all values from: polymer starting material
definition: classifier for the type of the starting material
example: Chemical substance, Biological substance
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
synonym: starting material type
usage note: No controlled vocabulary is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

polymer substance
type: Class
subclass of: polydisperse substance
subclass of: single substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - polymer
subclass of: Restriction
  on property: has comment
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: monomer set description
  min qualified cardinality: 0
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: isClassifiedBy
  on class: polymer class
  qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: polymer geometry
  qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  some values from: copolymer connectivity
subclass of: Restriction
  on property: hasConstituent
  some values from: structural repeat
disjoint with: protein substance
disjoint with: structurally diverse substance
definition: single polydisperse substance that contains structural repeat units linked by covalent bonds
example: Polymers containing polyethylene glycol structural repeat units are defined based on either degree of polymerization or molecular weight. A generic polyethylene glycol substance is not defined as a substance because of the wide variation in the functionality of these types of materials and safety concerns related to the degree of polymerization.
note: Monodisperse proteins and nucleic acids with defined sequences shall not be defined using the polymer substance elements.
note: Polymers shall be defined using a combination of controlled vocabularies and representations of the molecular structure of the structural repeat units, substituents that are attached to the structural repeat unit, which are described as either fragment or moiety modifications, molecular weight or the polydispersity of the material. The degree of polymerization, monomer description, polymer starting material used to synthesize synthetic polymers or copolymers, the source material for naturally derived polymers, polymeric end groups, and physical or biological properties shall also be captured when known and needed to distinguish material. Polymers shall be defined to the level of specificity needed to distinguish materials, and broad polymeric definitions shall be discouraged.
note: Values for polymer class would include homopolymer, copolymer; values for polymer geometry would include linear, branched, cross-linked and network or dendritic; values for copolymer sequence type would include random, statistical, alternating, periodic, block, mixed, graft or cross. Dispersity is usually determined from the ratio of the weight average molecular weight to the number average molecular weight. Properties such as viscosity, light scattering or sedimentation velocity, which are indicative of molecular weight, and biological properties such as enzymatic inhibition can also be distinguishing properties.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.63 and 7.6

preservative ingredient
type: Class
subclass of: inactive ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient added to delay the risk of the product's spoiling
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

processing material role
type: Class
subclass of: material role
definition: role of material essential to the manufacturing process that is not incorporated into the resultant material
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.5.5, figure 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause G.3.11

property name
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: ContextualName
subclass of: Restriction
  on property: isNameOf
  some values from: property of substance
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
definition: name associated with the biological, physical or chemical characteristic of a substance
example: viscosity, pH, cell surface antigen, spectra, pKa, UV absorption maxima, isoelectric point, relative density, Percent MenA Polysaccharide eluted before KD = 0,50
has business rules: A fully defined coded concept shall always be provided.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

property of substance
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: hasName
  on class: property name
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: property type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has property substance name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has property substance identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has property parameters
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: has amount
  on class: amount
  qualified cardinality: 1
subclass of: Restriction
  on property: characterizes
  some values from: substance
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
definition: biological, physical or chemical characteristic associated with a substance
example: The acid value of olive oil, refined is necessary to distinguish the substance from olive oil, virgin. The acid value of olive oil refined must be 10 times lower than the value of olive oil, virgin.
example: The pH of magnesium aluminometasilicate is necessary to distinguish low and high pH substances.
example: Viscosity is used to distinguish many polymers and should always be reported if known.
note: Properties can have values that are quantitative, semi-quantitative or qualitative. For semi-qualitative values, a consistent scale should be used. For example, for chemical substances; elemental analysis, mass and NMR spectra can be very helpful in determining whether two materials are different chemical substances and also in verifying that the their molecular structure is correct. Solubility information, melting, boiling and critical points, partition coefficients (logKow), and pKa values should also be supplied if known.
note: This information can be essential for the definition of each type of substance when structural elements are not sufficient to distinguish between similar substances.
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11
synonym: property

property type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: property of substance
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
definition: classifier indicating the nature of the property of the substance
example: physical, chemical, enzymatic, immunological
has conformance level: conformance level - conditional
has values allowed: Each property shall be provided with a fully terminologically defined concept for measurements. Such definition would include any necessary 'types' such as this.
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

protein sequence type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: protein substance
subclass of: Restriction
  on property: denotes
  all values from: protein substance
definition: classifier that indicates the nature of the protein sequence
example: complete, partial
note: The protein descriptive elements will only be used when a complete or partial amino acid sequence is available or derivable from a nucleic acid sequence.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

protein substance
type: Class
subclass of: monodisperse substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - protein
subclass of: Restriction
  on property: has comment
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: glycosylation
  min qualified cardinality: 0
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: has disulfide linkage
  min qualified cardinality: 0
  on data range: string
subclass of: Restriction
  on property: isClassifiedBy
  on class: protein sequence type
  qualified cardinality: 1
subclass of: Restriction
  on property: has number of subunits
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: hasConstituent
  some values from: protein subunit
disjoint with: structurally diverse substance
definition: single substance with a defined sequence of alpha-amino acids connected through peptide bonds
note: A protein consists of one or more chains with a length of more than 40 amino acids. A peptide is defined as a linear sequence consisting of 2 to 40 amino acid residues.
note: Mixtures of proteins, such as immunoglobulins, that have a large number of individual proteins with diverse sequences will be described as structurally diverse substances.
note: Synthetic peptides and proteins with defined sequences, recombinant proteins and highly purified proteins extracted from biological matrices are described as protein substances. Sites of glycosylation, disulphide linkages and glycosylation type (e.g. fungal, plant, anthropoid, avian mammalian, human) are defining elements of protein substances, when known. A graphical molecular structure is also included in the definition of all peptides of 40 amino acid residues or less.
note: The absolute configuration at the a-carbon atom of the a-amino acids is designated by the prefixed small capital letter D or L to indicate a formal relationship to D- or L-serine and thus to D- or L-glyceraldehyde.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1 and Figure 5
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.68

protein subunit
type: Class
subclass of: Constituent
subclass of: Restriction
  on property: has C-terminal modification
  on class: modification method
  max qualified cardinality: 1
subclass of: Restriction
  on property: has N-terminal modification
  on class: modification method
  max qualified cardinality: 1
subclass of: Restriction
  on property: has C-terminal modification name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has N-terminal modification name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has sequence attachment
  on class: Reference
  max qualified cardinality: 1
subclass of: Restriction
  on property: has C-terminal modification identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has N-terminal modification identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has sequence length
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: has subunit index
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: has protein sequence
  on data range: string
  qualified cardinality: 1
definition: linear sequence of amino acids linked through peptide bonds
note: The Protein Subunit information shall be provided when the finished protein is a complex of multiple sequences; subunits are not used to delineate domains within a single sequence. Subunits are listed in order of decreasing length; sequences of the same length will be ordered by decreasing molecular weight; subunits that have identical sequences will be repeated multiple times.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.68, 7.4

radioactive decay
type: Class
subclass of: Restriction
  on property: isExperiencedBy
  some values from: radionuclide
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997)
source: PAC, 1994, 66, 2513. (Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994)) on page 2518
definition: nuclear decay in which particles or electromagnetic radiation are emitted or the nucleus undergoes spontaneous fission or electron capture.
has conformance to ISO level: ConformanceToISOLevel-Extension

radionuclide
type: Class
subclass of: nuclide
subclass of: Restriction
  on property: has half life
  on class: ScalarQuantityValue
  min qualified cardinality: 0
subclass of: Restriction
  on property: undergoes
  some values from: radioactive decay
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
source: PAC, 1994, 66, 2513. (Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994)) on page 2524
definition: nuclide that is radioactive
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, section 7.2.2 and figure 14

reference information
type: Class
subclass of: StructuredCollection
subclass of: Reference
subclass of: Restriction
  on property: has comment
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: comprises
  on class: gene
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  on class: gene element
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  on class: substance classifier
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  on class: substance relationship
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  on class: target
  min qualified cardinality: 0
subclass of: Restriction
  on property: is reference information for
  some values from: Class
    union of: moiety
    union of: physical substance
    union of: substance
definition: informative reference details for a substance that may include classification, additional relationships and target information (for active substances)
note: Genes from which proteins are derived, target information and codes from code systems also constitute reference information for which the ISO 11238 specification provides a consistent structure to capture and link to a substance. Classification systems such as the WHO ATC and the United States Veterans Administration NDF-RT, which code classification information for substances, are particularly important. Target information is important for monoclonal and polyclonal antibodies and small molecules directed against specific molecular targets.
note: Reference information shall be captured for all types of substances and specified substance group 1.
note: The ISO 11238 standard does not provide any guidance on the classification of pharmacological effects or the determination of the putative targets for any substance or specified substance. It does allow for the capture of such information if available and provided. This information shall not affect the generation of a new unique identifier, i.e. it is not defining.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

reference source
type: Class
subclass of: Reference
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source citation
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: reference source class
  max qualified cardinality: 1
subclass of: Restriction
  on property: isIdentifiedBy
  on class: reference source identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has reference source URL
  max qualified cardinality: 1
  on data range: anyURI
subclass of: Restriction
  on property: is public
  max qualified cardinality: 1
  on data range: boolean
subclass of: Restriction
  on property: has reference source type
  some values from: reference source type
definition: physical or digital reference that provides more information about a topic
note: All data elements associated with a substance or specified substance should have a reference source. These sources could be regulatory submissions, publications by naming authorities such as INN or USAN, pharmacopoeias, books, journals, web sites, meeting materials or public databases such as chemical abstracts. A source can refer to multiple data elements and a given element can have multiple sources.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4

reference source citation
type: Class
subclass of: Reference
subclass of: Restriction
  on property: describes
  some values from: reference source
subclass of: Restriction
  on property: hasTextValue
  some values from: string
definition: unique bibliographic citation for a reference source
example: Literature reference: Encycl. 3: 429 (1792), WHO Drug Information Vol. 25, no 3, 2011 Recommend INN: list 66
note: A citation should be captured for a literature reference. The specific format for a given citation may be defined at regional level.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.4

reference source class
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: reference source
subclass of: Restriction
  on property: denotes
  all values from: reference source
equivalent class: Class
  one of: reference source class - literature
  one of: reference source class - official name source
  one of: reference source class - other name source
  one of: reference source class - public database
  one of: reference source class - regulatory submission
  one of: reference source class - web
definition: classifier indicating a broad category for the source in which the data elements were found
example: Regulatory submission, Public Database
note: Each reference information type should be associated with a class. The class will be automatically associated with each type of information.
has business rules: Need not be entered as the value is dependent on the Reference Source Type.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4

reference source class - literature
type: NamedIndividual
type: reference source class
definition: classifier for a reference source indicating that the source is domain and topic-specific literature
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Literature

reference source class - official name source
type: NamedIndividual
type: reference source class
different from: reference source class - other name source
definition: classifier for a reference source indicating that the source is an official, jurisdiction-specific source for an official name
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Official Name Source

reference source class - other name source
type: NamedIndividual
type: reference source class
definition: classifier for a reference source indicating that the source of information about a name is not an official, jurisdiction-specific source for that name
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Other Name Source

reference source class - public database
type: NamedIndividual
type: reference source class
definition: classifier for a reference source indicating that the source is a publicly available database
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Public Database

reference source class - regulatory submission
type: NamedIndividual
type: reference source class
definition: classifier for a reference source indicating that the source is a regulatory submission
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Regulatory Submission

reference source class - web
type: NamedIndividual
type: reference source class
definition: classifier for a reference source indicating that the source is a web site
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.3
is member of: ISO 11238 - reference source class vocabulary
is defined in: ISO 11238 - reference source class vocabulary
has text value: Web

reference source document
type: Class
subclass of: reference source
subclass of: ReferenceDocument
subclass of: Restriction
  on property: isIdentifiedBy
  on class: reference source document identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: has reference source document type
  on class: reference source document type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has corresponding document
  max qualified cardinality: 1
  on data range: anyURI
subclass of: Restriction
  on property: is public
  max qualified cardinality: 1
  on data range: boolean
subclass of: Restriction
  on property: isClassifiedBy
  on class: reference source document classification
  min qualified cardinality: 0
definition: physical or digital document that provides more information about a topic
note: All data elements associated with a substance or specified substance should have a reference source. These sources could be regulatory submissions, publications by naming authorities such as INN or USAN, pharmacopoeias, books, journals, web sites, meeting materials or public databases such as chemical abstracts. A source can refer to multiple data elements and a given element can have multiple sources.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4

reference source document classification
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: reference source document
definition: classifier indicating a category within a given classification scheme for the reference source document
example: Chemical structure, NMR spectra, Mass Spectra, In-house/Batch release specification, Plasma Master File (PMF)
note: A classification system will be also developed for documents. The classification system will indicate the type of information contained within the reference document based on a terminology for the classification of reference source documents.
note: The reference document should be classified according to the information contained within.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.7.5
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

reference source document identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: reference source document
definition: unique identifier for a reference source document
example: FR4563 (Artificial ID)
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.7.5

reference source document type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: reference source document
definition: classifier indicating the type of document associated with the reference source document
example: Pharmacopoeial monograph, Regulatory submission, Journal article, Release specification, In-house specification, Text file
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.7.3
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

reference source identifier
type: Class
subclass of: Identifier
subclass of: Restriction
  on property: identifies
  some values from: reference source
definition: unique identifier for a reference source
example: IND number, Recommended INN list; PMID (PubMed Identifier)
note: Many sources such as regulatory submissions, INN lists and others should be associated with a number or ID. The ID should be captured.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.4

reference source type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: reference source
subclass of: Restriction
  on property: denotes
  all values from: reference source
definition: classifier indicating the type of source in which the data elements were actually found
example: BP, ChemID (NLM), Ph.Eur., USP/NF, IND (Investigational New Drug), Recommended INN List, ITIS, JAN, Journal, JP, KEGG, Martindale, NDA, Personal Care Products Council (PCPC), PubChem, USAN, USP, Web Page, CAS Registry, FDA Global Substance Registration System (FDA GSRS), WHO Collaborating Centre for Drug Statistics Methodology (WHOCC), Chemical Book, Orange Book, Marketing Authorization Application (MAA), WHO/IUIS Allergen Nomenclature, UniProt, Plasma Master File, Homeopathic Pharmacopoeia
note: All reference sources shall be associated with a type. The type shall actually identify the source of the information if it is a public database or naming authority. For official names and defining information, the primary source should be used if available. A single source can be used for many data elements. Public databases particularly those of official naming bodies, regulatory submissions, manufacturer's technical specifications, scientific journal articles and pharmacopoeias are all sources that can be used.
has business rules: All names should have at least one source and hence source type. When the Reference Source Type is a Pharmacopoeial monograph, no reference has to be made to the version. The reference made (for example to Ph.Eur., USP, or JP) shall comply with the latest (current) and valid edition.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

regulatory context
type: Class
subclass of: Context
definition: context that reflects a regulatory reporting viewpoint
has conformance to ISO level: ConformanceToISOLevel-Extension
explanatory note: Certain definitions used in the IDMP standards appear to be specific to regulatory reporting, which differ with the perspective of a chemist (scientist) performing analysis. In such cases in this ontology we will attempt to capture both perspectives and identify distinctions to limit ambiguity.

residue modified
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: Class
    union of: modification
    union of: modification method
subclass of: Restriction
  on property: denotes
  all values from: Class
    union of: modification
    union of: modification method
subclass of: Restriction
  on property: hasTextValue
  min qualified cardinality: 0
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.2
definition: description where in a substance a modification is done
example: lysine; reducing end of Oligosaccharide; ε-amino, α-amino, guanidinyl, secondary amino, and hydroxyl groups (in decreasing order of reactivity) of amino acids residues of proteins
example: non-specific modifications
example: random
has business rules: In case of N-Terminal modification and C-Terminal modification of a protein subunit, modification is mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
explanatory note: It may be known that lysine residues are modified but the particular lysine in the sequence may not be known. It should be captured for both specific and non-specific modifications, e.g. sizing carbohydrate polymers by hydrolysis.
explanatory note: The residues of modification can be specific to a type of residue, optionally at a specific site, in a molecular entity, non-specific or random.
usage note: Note that because there may be additional values, over and above those specified, an equivalence to a list of the valid values is not appropriate.

residue modified - non-specific modifications
type: NamedIndividual
type: residue modified
definition: code for non-specific residue(s) of modification
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.2
is member of: ISO 11238 - residue modified vocabulary
is defined in: ISO 11238 - residue modified vocabulary
has text value: non-specific modifications

residue modified - random
type: NamedIndividual
type: residue modified
definition: code for random residue(s) of modification
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.2
is member of: ISO 11238 - residue modified vocabulary
is defined in: ISO 11238 - residue modified vocabulary
has text value: random

resultant material role
type: Class
subclass of: material role
definition: role of material that is the result of a manufacturing process
note: Resultant material may be the starting material of the next process step or the final material or actual specified substance.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.70 and clause 8.5.5, Figure 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause G.3.13

SMILES
type: Class
subclass of: structural representation
subclass of: Restriction
  on property: isClassifiedBy
  has value: structural representation type - SMILES
subclass of: Restriction
  on property: has SMILES value
  max qualified cardinality: 1
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: specification for an unambiguous linear representation of chemical or molecular structures using ASCII characters
note: It is predominantly used by Daylight Chemical Information Systems Inc., although an open source version has been recently developed. Canonical smiles is a SMILES string that is unique for each structure and can be used to ensure that duplicate structures are not entered into a database.
note: Other linear representation forms for chemical structures include SYBYL line notation (SLN) and the older Wiswesser Line Notation, which was the first line notation for the representation of chemical structures. These other formats are not currently in wide use.
abbreviation: SMILES
synonym: simplified molecular input line entry

salt
type: Class
subclass of: substance
source: Chemical Entities of Biological Interest Ontology, see http://purl.obolibrary.org/obo/CHEBI_24866
source: National Cancer Institute Thesaurus, see http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C822
definition: ionic substance formed from the neutralization reaction of an acid and a base
note: Salts are ionic compounds composed of cations (positive ions) and anions (negative ions).
has conformance to ISO level: ConformanceToISOLevel-Extension
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.71

scientific context
type: Class
subclass of: Context
definition: context that reflects the viewpoint of subject matter experts that are scientists, including but not limited to organic chemists
has conformance to ISO level: ConformanceToISOLevel-Extension
explanatory note: Certain definitions used in the IDMP standards appear to be specific to regulatory reporting, which differ with the perspective of a chemist (scientist) performing analysis. In such cases in this ontology we will attempt to capture both perspectives and identify distinctions to limit ambiguity.

single substance
type: Class
subclass of: substance
subclass of: Restriction
  on property: has defining molecular formula
  all values from: molecular formula
subclass of: Restriction
  on property: has defining molecular formula by moiety
  all values from: molecular formula by moiety
subclass of: Restriction
  on property: has defining structure
  all values from: structure
subclass of: Restriction
  on property: has defining number of moieties
  min qualified cardinality: 0
  on data range: integer
subclass of: Restriction
  on property: has optical activity
  on class: optical activity
  min qualified cardinality: 0
subclass of: Restriction
  on property: isCharacterizedBy
  on class: property of substance
  min qualified cardinality: 0
equivalent class: Class
  union of: chemical substance
  union of: nucleic acid substance
  union of: polymer substance
  union of: protein substance
  union of: structurally diverse substance
definition: substance that specifies a single representation or set of descriptive elements for a given class of substances
note: A single substance can be described using one or more of five types of elements: chemical, protein, nucleic acid, polymer or structurally diverse substances.
note: Racemates and substances with unknown, epimeric or mixed chirality can be defined as single substances because a single structural representation may be generated and the stereochemistry indicated as descriptive text.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.74
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1 and Figure 5
synonym: classifier for a single molecular entity

source material classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: source material role
definition: general high-level classification of the source material specific to the origin of the material
example: biologic, botanical, mineral, organic
has business rules: For structurally diverse substances, this class shall be mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.1
synonym: SOURCE_MATERIAL_CLASS: CD
synonym: source material class
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

source material role
type: Class
subclass of: material role
subclass of: Restriction
  on property: is derived from organism of stage
  all values from: development stage
subclass of: Restriction
  on property: is derived from organism fraction
  all values from: organism fraction
subclass of: Restriction
  on property: is derived from organism identified by
  all values from: organism identifier
subclass of: Restriction
  on property: is derived from organism named
  all values from: organism name
subclass of: Restriction
  on property: is derived from organism part
  all values from: organism part
subclass of: Restriction
  on property: has country of origin
  all values from: Alpha2RegionCode
subclass of: Restriction
  on property: has parent substance identified by
  all values from: Class
    union of: organism identifier
    union of: substance code
    union of: substance identifier
subclass of: Restriction
  on property: has parent substance named
  all values from: Class
    union of: organism name
    union of: substance name
subclass of: Restriction
  on property: isDerivedFrom
  on class: organism
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: source material classifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: source material state
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: source material type
  max qualified cardinality: 1
subclass of: Restriction
  on property: isManifestedIn
  on class: Class
    union of: protein substance
    union of: polymer substance
    union of: structurally diverse substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: has geographical location
  min qualified cardinality: 0
  on data range: string
definition: role of material from which a substance is derived, which is defined based on taxonomic and anatomical origins
note: Fresh plant material, herbal drugs and herbal preparations, including extracts with limited information, will all be captured as substances, defined using the elements of the structurally diverse substance type.
note: Human plasma-derived substances, allergens, vaccines and some homeopathic substances, when the homeopathic stock is derived from botanical or zoological material, will also be captured as structurally diverse substances and the source material will be a predominant element group.
note: Source material captures the taxonomic and anatomical origins as well as the fraction of a material that can result in or can be modified to form a substance. The Source material shall be used to define the structurally diverse and polymer substances isolated from biological matrices. Taxonomic and anatomical origins shall be described using controlled vocabularies as required.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.76 and clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause G.3.14
explanatory note: Information defining the nature of the source material is required for naturally derived proteins and polymers (e.g. starch) and structurally diverse substances. For organisms belonging to the Kingdom Plantae the substance level defines the fresh material of a single species or intraspecies, the herbal Drug and the herbal preparation. For herbal preparations, the fraction information will be captured at the substance information level and additional information for herbal extracts will be captured at the specified substance group 1 information level.
synonym: SOURCE_MATERIAL

source material state
type: Class
subclass of: state
subclass of: ISO21090-ConceptDescriptor
subclass of: Restriction
  on property: classifies
  some values from: source material role
definition: classifier for the state of the source material when extracted
example: live, activated, inactivated, attenuated, conjugated, live (attenuated), cultured (killed), polysaccharide, natural-derived
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.3
synonym: SOURCE_MATERIAL_STATE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

source material type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: source material role
definition: classifier for the type of the source material based on a controlled vocabulary
example: bacteria, human, mammal, fungus, virus, plant, animal, grass pollen, arachnid, porcine
note: For vaccines, this subclause refers to the class of infectious agent.
has business rules: The 'Source Material Type' values are presented based on the 'Source Material Class' values. Because organic/inorganic is just a class best captured in terminology of the source material types, only one data element is needed for type which implies class. For herbals, this class shall be mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.2
synonym: SOURCE_MATERIAL_TYPE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

species
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic group of organisms that differ from all other groups of organisms and that are capable of breeding and producing fertile offspring
example: Biloba; procumbens
note: Species refers to the Latin epithet of the species of the plant/animal; it is present in names for species and intraspecies.
has business rules: For Herbals, this element shall be Mandatory. They shall be specified as a code from an appropriate taxonomy terminology (e.g., the Catalogue of Life, Kew Gardens Medicinal Plant Names Services for plants or NCBI Taxonomy ID).
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: SPECIES: CD

specified item count
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: hasIntegerValue
  some values from: integer
definition: number of discrete items of the same constituent in a constituency
example: the number of items in a container or collection
has conformance to ISO level: ConformanceToISOLevel-Extension

specified substance
type: Class
subclass of: substance
subclass of: Restriction
  on property: comprises
  on class: specified substance group 4
  min qualified cardinality: 0
subclass of: Restriction
  on property: comprises
  some values from: Class
    union of: specified substance group 1
    union of: specified substance group 2
    union of: specified substance group 3
subclass of: Restriction
  on property: specializes
  some values from: substance
definition: substance defined by groups of elements that describe multi-substance materials or specify further information on substances relevant to the description of medicinal products
note: A specified substance is generally a further specification of a substance that captures information on manufacture, specifications, physical form or multi-substance materials that are components of a medicinal product formulation.
note: This could include grade, units of measure, physical form, constituents, manufacturer, critical manufacturing processes (e.g. extraction, synthetic or recombinant processes), specification and the analytical methods used to determine whether a substance is in compliance with a specification. There are four different groups of elements that can be used to define a given specified substance and specific relationships between each group of elements.
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.78, 6.2

specified substance group
type: Class
subclass of: Arrangement
subclass of: StructuredCollection
subclass of: Restriction
  on property: hasMember
  some values from: Aspect
subclass of: Restriction
  on property: isIncludedIn
  some values from: specified substance
equivalent class: Class
  union of: specified substance group 1
  union of: specified substance group 2
  union of: specified substance group 3
  union of: specified substance group 4
definition: structured arrangement of requirements or characterizations of physical substances that are bundled together to further qualify the definition of a specified substance
has conformance to ISO level: ConformanceToISOLevel-Extension

specified substance group 1
type: Class
subclass of: specified substance group
definition: criteria for specifying the nature of material containing multi-substance material of diverse origin, physical and polymorphic forms of material as well as standardized herbal and allergenic extracts
note: Grouping of constituent substances is allowed for the definitions of many materials in commerce that are used in the formulation of medicinal products although the individual ingredients of a multi-substance material should be provided as much as possible.
note: In addition, extended information regarding plasma-derived substances sourced from a specific Cryopoor plasma or Cryoprecipitate flow will be defined as part of Specified Substance Group 1 based on the tests and acceptance criteria of the plasma sourced from a selection of the countries.
note: Solvents used in the preparation of herbal or allergenic extracts, specific marker or signature substances present in materials derived from biological matrices, the physical form of a substance when relevant, fraction information and any properties captured as characteristic attributes essential to the description of the material. Elements of micro-heterogeneity for proteins such as details of glycosylation and other post-translational modifications can also be captured at the Specified Substance Group 1 level as modifications.
note: The 'Constituent' element group shall consist of substances that are components of a multi-substance material, marker or signature substances present in botanical-, animal- or human-derived material and constituent substance(s) with the substance role of parent. In contrast to mixture substances, the amount of the above substances shall be captured.
note: There are two other element groups which are used to capture additional information about substances. The element group 'Characteristic Attribute' is used to capture various information depending on the substance type and the element group 'Attribute Parameter' is used to capture information of specific conditions on which the instance of the Characteristic Attribute is measured in combination with the element group 'Amount'.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.2

specified substance group 2
type: Class
subclass of: specified substance group
definition: criteria for specifying the manufacturer of either a Substance or a Specified Substance Group 1, along with minimal manufacturing information
note: For substance (active ingredients intended to be used in the medicinal product) the element 'Manufacturing Type', 'Production Method Type', 'Production System Type' and 'Critical Process Version Number' is always mandatory.
note: The Specified Substance Group 2 elements would allow the tracking of the substance to the manufacturer in a 1 to 1 relationship. This is important for biosimilar and other generic products. It also allows the distinguishing of synthetic peptides from recombinant peptides and the capture of the production cell lines.
note: The minimal manufacturing information shall include the overall production method type (e.g. synthetic, extractive, recombinant), limited production method description, production system type (e.g. cell line, plant or animal tissue) and production system (specific cell line). Critical Process Version Number shall be used to distinguish Specified substances that have undergone a major change in the Critical Process used in the manufacturing of the (specified) substance, e.g. a change which needs regulatory approval. The initial Critical Process Version Number shall be one and each subsequent number shall be increased sequentially.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.3

specified substance group 3
type: Class
subclass of: specified substance group
definition: criteria for specifying the grade of the material along with the source that defines the given grade
example: Water is the parent substance for the Specified Substance Group 3 'Sterile Water for Injection' USP
note: For most active pharmaceutical substances, typical grades are USP, Ph.Eur. or JP. For herbal substances, the grades would be standardized, quantified and unstandardized (other).
note: Specified Substance Group 3 elements shall be used to distinguish specific Pharmacopoeial and technical grades of material.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.4

specified substance group 4
type: Class
subclass of: specified substance group
subclass of: Restriction
  on property: hasMember
  on class: analytical method
  min qualified cardinality: 0
subclass of: Restriction
  on property: hasMember
  on class: pharmacopoeial grade
  min qualified cardinality: 0
definition: criteria for specifying the critical manufacturing processes, specifications and analytical procedures related to the test method(s), unitage, analytical procedures used for potency and purity determinations
note: The Specified Substance Group 4 information model consists of four parts: Detailed Manufacturing information, Grade information, Specification and Analytical Data.
note: The specific information described for Specified Substance Group 4 is often submitted in regulatory submissions in a diffuse manner that is difficult to capture and organize.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.5

stabilizer ingredient
type: Class
subclass of: inactive ingredient
label: stabiliser ingredient
source: ISO/TS 20443:2017(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11615 data elements and structures for the unique identification and exchange of regulated medicinal product information, table D.1, clause D.2.1
definition: role of an inactive ingredient added to to keep the mixture homogenic (e.g. prevent the phases of an emulsion to separate)
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant

starting material role
type: Class
subclass of: material role
disjoint with: resultant material role
definition: role of material from which the manufacturing process of the substance starts
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 8.5.5, Figure 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause G.3.16
explanatory note: This material is a building block which will be (partially) incorporated in the structure of the resultant product.

state
type: Class
subclass of: Classifier
definition: classifier indicating a condition of something that holds for some period of time
has conformance to ISO level: ConformanceToISOLevel-Extension
explanatory note: The concept of state typically refers to a fixed condition that does not change unless acted on via some process or external force. Condition and state are often used interchangeably, though condition sometimes implies a more dynamic situation.

stereochemistry
type: Class
subclass of: structure
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause B.6.5.1
equivalent class: Class
  one of: stereochemistry - absolute
  one of: stereochemistry - achiral
  one of: stereochemistry - axial
  one of: stereochemistry - axial r
  one of: stereochemistry - axial s
  one of: stereochemistry - chiral
  one of: stereochemistry - cis
  one of: stereochemistry - epimeric
  one of: stereochemistry - meso
  one of: stereochemistry - mixed
  one of: stereochemistry - octahedral 12
  one of: stereochemistry - octahedral 21
  one of: stereochemistry - octahedral 22
  one of: stereochemistry - racemic
  one of: stereochemistry - square planar 1
  one of: stereochemistry - square planar 2
  one of: stereochemistry - square planar 3
  one of: stereochemistry - square planar 4
  one of: stereochemistry - tetrahedral
  one of: stereochemistry - trans
  one of: stereochemistry - unknown
definition: relative spatial arrangement of atoms in 3-dimensional space within molecules
example: absolute, axial r, axial s, square planar 1, square planar 2, square planar 3, square planar 4, tetrahedral, octahedral 12, octahedral 22, octahedral 21, chiral, geometric, achiral, racemic, mixed
note: Stereochemistry is concerned with the 3-dimensional arrangement of atoms in molecules, and stereoisomers are isomers with no difference in connectivity or bond multiplicity, but whose atomic-spatial arrangements differ.
has business rules: When the Substance type, as defined in is either chemical or polymer, this class is MANDATORY; for all other cases this class is CONDITIONAL.
has conformance level: conformance level - conditional
has values allowed: ABSOLUTE, AXIAL R, AXIAL S, SQUARE PLANAR 1, SQUARE PLANAR 2, SQUARE PLANAR 3, SQUARE PLANAR 4, TETRAHEDRAL, OCTAHEDRAL 12, OCTAHEDRAL 22, OCTAHEDRAL 21; RACEMIC, MIXED, CHIRAL, ACHIRAL, ABSOLUTE, AXIAL, EPIMERIC, MESO, UNKNOWN, CIS, TRANS
is encoded as: DatatypeCode-CD
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.80, clause 7.2.2 Figure 14
explanatory note: Stereochemistry is a structure. In most cases it is also a molecular structure, but the way stereochemistry is defined in IDMP it is not necessarily so because the list in IDMP includes 'racemic', which is a mereological property of a mixture and depends on the stereochemistry of its constituents. The stereochemistry of the molecule is the 3d spatial and topological structure. The stereochemistry can also be represented different ways, so one can define a stereochemical representation along with structural representation, but both are often represented together.
synonym: molecular geometry

stereochemistry - absolute
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: stereochemistry classifier indicating that the stereochemical description fully describes the spatial arrangement of the atom of a chiral molecular entity (or group)
adapted from: https://en.wikipedia.org/wiki/Absolute_configuration
explanatory note: The most common labeling method uses the descriptors R or S and is based on the Cahn-Ingold-Prelog priority rules.
explanatory note: Until 1951 it was not possible to determine the absolute configuration and configuration were indicated relative to glyceraldehyde with the D/L system.
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: ABSOLUTE
has text value: absolute

stereochemistry - achiral
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
different from: stereochemistry - chiral
definition: stereochemistry classifier indicating that the molecule is not chiral
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: ACHIRAL
has text value: achiral

stereochemistry - axial
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a chirality axis based stereochemistry where, using the Cahn-Ingold-Prelog (CIP) priority rules, ordering can be determined
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: AXIAL
has text value: axial

stereochemistry - axial r
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a chirality axis based stereochemistry where, using the Cahn-Ingold-Prelog (CIP) priority rules, the priorities (from highest to lowest) of the substituent atoms exist in a clockwise direction
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: AXIAL R
has text value: axial r

stereochemistry - axial s
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a chirality axis based stereochemistry where, using the Cahn-Ingold-Prelog (CIP) priority rules, the priorities (from highest to lowest) of the substituent atoms exist in an anti-clockwise direction
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: AXIAL S
has text value: axial s

stereochemistry - chiral
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating an object or molecule that is not superimposable on its mirror image
note: The classic description of chirality is the comparison of the hand in a mirror, because the mirror image is the opposite. A chiral molecule has one or more chiral centres.
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: CHIRAL
has text value: chiral

stereochemistry - cis
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
different from: stereochemistry - trans
definition: stereochemistry classifier indicating that the functional groups (substituents) are on the same side of some plane
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: CIS
has text value: cis

stereochemistry - epimeric
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a particular kind of diastereomers that differ in their stereochemistry at only one chiral centre
explanatory note: The stereochemistry at all other chiral centres is identical.
synonym: epimeric centres
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: EPIMERIC
has text value: epimeric

stereochemistry - meso
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating that a molecule is a non-optically active member of a set of stereoisomers, at least two of which are optically active
explanatory note: Despite containing two or more stereocenters, the molecule is not chiral (achiral).
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: MESO
has text value: meso

stereochemistry - mixed
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a mixture of substances with different stereochemistries or a combination of stereochemistries at different parts of the molecule
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: MIXED
has text value: mixed

stereochemistry - octahedral 12
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating an octahedral molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the lowest priority donor atom directly across from (trans to) a priority 1 donor atom is also 1 and the priority of the donor atom across from (trans to) the highest priority atom in the plane perpendicular to this reference axis is 2
synonym: trans octahedral
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: OCTAHEDRAL 12
has text value: octahedral 12

stereochemistry - octahedral 21
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating an octahedral molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the lowest priority donor atom directly across from (trans to) a priority 1 donor atom is 2 and the priority of the donor atom across from (trans to) the highest priority atom in the plane perpendicular to this reference axis is 1
synonym: trans octahedral 21
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: OCTAHEDRAL 21
has text value: octahedral 21

stereochemistry - octahedral 22
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating an octahedral molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the lowest priority donor atom directly across from (trans to) a priority 1 donor atom is 2 and the priority of the donor atom across from (trans to) the highest priority atom in the plane perpendicular to this reference axis is 2
synonym: trans octahedral 22
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: OCTAHEDRAL 22
has text value: octahedral 22

stereochemistry - racemic
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating an equimolar mixture of two enantiomers
example: See example in ISO/TS 19844:2018(E) Figure B.17 racemic Amlodipine structure.
note: A racemate is optically inactive.
synonym: racemate
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: RACEMIC
has text value: racemic

stereochemistry - square planar 1
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a square planar molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the donor atom directly across from the priority 1 donor atom is also 1
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: SQUARE PLANAR 1
has text value: square planar 1

stereochemistry - square planar 2
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a square planar molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the donor atom directly across from the priority 1 donor atom is 2
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: SQUARE PLANAR 2
has text value: square planar 2

stereochemistry - square planar 3
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a square planar molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the donor atom directly across from the priority 1 donor atom is 3
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: SQUARE PLANAR 3
has text value: square planar 3

stereochemistry - square planar 4
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a square planar molecular geometry where the Cahn-Ingold-Prelog (CIP) priority of the donor atom directly across from the priority 1 donor atom is 4
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: SQUARE PLANAR 4
has text value: square planar 4

stereochemistry - tetrahedral
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating a molecule in which the central atom is bound to four atoms that form the vertices of a tetrahedron and are described by the chirality symbols (R) and (S)
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: TETRAHEDRAL
has text value: tetrahedral

stereochemistry - trans
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53, clause B.6.5.1
definition: stereochemistry classifier indicating that the functional groups (substituents) are on opposing (transverse) sides of some plane
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: TRANS
has text value: trans

stereochemistry - unknown
type: NamedIndividual
type: stereochemistry
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.1, Table 53
definition: stereochemistry classifier indicating that the molecular geometry is not known
is member of: ISO 11238 - stereochemistry vocabulary
is defined in: ISO 11238 - stereochemistry vocabulary
has text value: UNKNOWN
has text value: unknown

structural modification method
type: Class
subclass of: modification method
subclass of: Restriction
  on property: has modification type
  has value: modification method type - structural
subclass of: Restriction
  on property: has modification moiety
  on class: moiety
  min qualified cardinality: 0
subclass of: Restriction
  on property: has modified molecular fragment
  on class: molecular fragment
  min qualified cardinality: 0
subclass of: Restriction
  on property: has structural modification type
  some values from: structural modification type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
definition: method of modification where the existing molecular structure is discretely modified (either covalent modification, ionic modification including salt and solvate formation or modification by chelate formation)
example: Amino Acid Substitution of the peptide/protein, Salt, hydrate, solvate formation, chemical substitution, moiety, amino acid sulphation, nucleic acid base substitution, Reductive Amination
example: Structural modifications are used to describe in principle covalent modifications or essential associations of moieties with a protein, nucleic acid, or structurally diverse material. Covalent modification for a protein, nucleic acid or structurally diverse material typically means an amino acid substitution, a C-/N-terminal modification of a protein or base or 5’-, 3’- modifications of nucleic acids. The tight and/or stoichiometric association of moieties to macromolecular material by ionic forces, chelate formation, van der Waals interactions, or dipole moment interactions are also considered structural modifications since they may affect the tertiary structure of the protein/peptide or are an essential element of the drug substance (e.g. a chelated radionuclide). When peptide or nucleic acid chains are tightly associated either through covalent bonds or strong non-covalent interactions (e.g. Factor VIII: Von-Willebrand Factor interactions, Watson-Crick base pairing) they will be described as subunits of the respective protein or nucleic acid.
example: chemical substitution

structural modification type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: structural modification method
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
definition: classifier for a structural modification
example: amino acid substitution
example: reductive amination

structural repeat
type: Class
subclass of: Constituent
subclass of: Restriction
  on property: isClassifiedBy
  on class: structural repeat unit amount type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has average molecular formula by repeat unit
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isConstituentOf
  on class: polymer substance
  qualified cardinality: 1
subclass of: Restriction
  on property: has number of structural repeat units
  on data range: integer
  qualified cardinality: 1
subclass of: Restriction
  on property: hasConstituent
  some values from: structural repeat unit
definition: constituent of the definition of a polymer substance that specifies and quantifies the repeated units and their configuration
note: The structure wherever possible should be representative of the structural repeat units that make up the polymer. The structure should be contained within brackets. The end-groups or an asterisk indicating connectivity to another structural repeat unit should be drawn outside the brackets. For random copolymers, each structural repeat unit should be drawn in the same structural representation, but not directly connected to each other. For block copolymers, the structural repeating units will be directly connected to each other. End-groups, when known, should also be attached to the structural repeat units. MolFile are the preferred format for the molecular structure of the repeat unit.
has conformance level: conformance level - mandatory
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
synonym: structural repeat

structural repeat unit
type: Class
subclass of: Constituent
subclass of: Restriction
  on property: isClassifiedBy
  on class: degree of polymerization
  min qualified cardinality: 0
subclass of: Restriction
  on property: has amount
  on class: amount
  qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: orientation of polymerization
  qualified cardinality: 1
subclass of: Restriction
  on property: isConstituentOf
  on class: structural repeat
  qualified cardinality: 1
subclass of: Restriction
  on property: has structural repeat unit description
  on data range: string
  qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  some values from: structural representation
definition: fundamental descriptor of a polymer typically derived from a monomer that is used to synthesize the polymer
note: The structural repeat unit shall have a distinct stoichiometric composition. However, if the substituents within SRU are variable the structural information of the substituents can be partially described e.g. SRU of polysaccharides sourced from biological matrixes (vaccines).
note: The structure wherever possible should be representative of the structural repeat units that make up the polymer. The structure should be contained within brackets. The end-groups or an asterisk indicating connectivity to another structural repeat unit should be drawn outside the brackets. For random copolymers, each structural repeat unit should be drawn in the same structural representation, but not directly connected to each other. For block copolymers, the structural repeating units will be directly connected to each other. End-groups, when known, should also be attached to the structural repeat units. MolFile are the preferred format for the molecular structure of the repeat unit.
has conformance level: conformance level - mandatory
abbreviation: SRU
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.82 and 7.6

structural repeat unit amount type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: structural repeat
subclass of: Restriction
  on property: denotes
  all values from: structural repeat
definition: classifier that indicates how the quantitative amount of structural repeat units is captured
example: Exact, Numeric, Average
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

structural representation
type: Class
subclass of: Designation
subclass of: Restriction
  on property: isClassifiedBy
  on class: structural representation type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has structural representation attachment
  max qualified cardinality: 1
  on data range: anyURI
subclass of: Restriction
  on property: has structural representation text
  max qualified cardinality: 1
  on data range: string
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: representation of the arrangement of atoms for describing chemical structures
note: Structural information is an essential element for all chemical substances, polymers and for other types of substances that have structurally definable elements or modifications. The representation should contain structural information in one or more of the standardized formats as indicated. A graphical image of the molecular structure should also be provided if available. A complete representation of the structure should be provided and is usually sufficient to define chemical substances.
note: Structural representations can be in a variety of formats or even multiple formats. The commonly used formats include molfile, SMILES, InChI, and cdx. Indication of a preferred structural representation may be defined at regional level. Although most chemical substances may be represented by a single unambiguous structural representation, there are also many substances that can be represented by multiple structural representations or as a mixture of single substances.
has conformance level: conformance level - conditional

structural representation type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  some values from: structural representation
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: classifier for representing the arrangement of atoms for describing chemical structures
example: classifier for representing the arrangement of atoms for describing chemical structures
has business rules: A structure can only be of one type. Field is mandatory when structural elements are present.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

structural representation type - InChI
type: NamedIndividual
type: structural representation type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: structural representation classifier indicating that the format of the representation is a linear, layered representation of a chemical structure, comprised of up to four layers: (1) constitutional - expresses pure connectivity of the atoms, (2) stereochemical - includes conventional C-atom sp2 and sp3 stereochemistry, (3) isotopic - enables isotopes to be distinguished, and (4) tautomeric - implements simple forms of rapid H-migration isomerization
is member of: ISO 11238 - structural representation vocabulary
is defined in: ISO 11238 - structural representation vocabulary
has text value: InChI

structural representation type - InChIKey
type: NamedIndividual
type: structural representation type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: structural representation classifier indicating that the format of the representation is a fixed length (25 characters) condensed digital representation of an InChI
is member of: ISO 11238 - structural representation vocabulary
is defined in: ISO 11238 - structural representation vocabulary
has text value: InChIKey

structural representation type - molfile
type: NamedIndividual
type: structural representation type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: structural representation classifier indicating that the format of the representation is a molfile
is member of: ISO 11238 - structural representation vocabulary
is defined in: ISO 11238 - structural representation vocabulary
has text value: Molfile

structural representation type - SMILES
type: NamedIndividual
type: structural representation type
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
definition: structural representation classifier indicating that the format of the representation is that of an unambiguous linear representation of chemical or molecular structures using ASCII characters
is member of: ISO 11238 - structural representation vocabulary
is defined in: ISO 11238 - structural representation vocabulary
has text value: SMILES

structurally diverse substance
type: Class
subclass of: polydisperse substance
subclass of: single substance
subclass of: Restriction
  on property: has substance type
  has value: substance type classifier - structurally diverse
subclass of: Restriction
  on property: isDescribedBy
  on class: glycosylation
  max qualified cardinality: 1
subclass of: Restriction
  on property: manifests
  some values from: source material role
definition: single polydisperse substance isolated from a single source that is a complex combination which cannot be described as a mixture of a limited number of single substances
note: Structurally diverse substances are defined based on immutable properties of a given material. Modifications that irreversibly alter the structure of the material, distinctive physical properties or components subsumed into the material, e.g. a gene in gene therapy substances, are defining elements for structurally diverse substances. Fractions derived from source material (oils/juices and extracts) are also captured in the definition. Protein mixtures containing a large number of diverse sequences such as polyclonal immunoglobulins are defined as structurally diverse substances.
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1 and Figure 5
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.63

structure
type: Class
subclass of: Arrangement
definition: arrangement and organization of interrelated elements in a material object or system
note: Material structures include man-made objects such as buildings and machines and natural objects such as biological organisms, minerals and chemicals.
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.49, 7.2.1
explanatory note: A structure defines common spatial, topological, mereological properties that are shared by material objects or systems. Structure is intrinsic to the thing it describes or defines.
usage note: Note that the term 'structure' is not explicitly defined in the standard, but molecular structure is defined using this concept, and the concept appears in various UML diagrams in the standard.

substance
type: Class
subclass of: Specification
subclass of: Restriction
  on property: has defining molecular weight
  all values from: molecular weight
subclass of: Restriction
  on property: is related substance to
  all values from: substance
subclass of: Restriction
  on property: has reference information
  on class: reference information
  max qualified cardinality: 1
subclass of: Restriction
  on property: has comment
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isProducedBy
  on class: manufacturer
  min qualified cardinality: 0
subclass of: Restriction
  on property: specifies
  on class: physical substance
  min qualified cardinality: 0
subclass of: Restriction
  on property: has substance name
  some values from: substance name
subclass of: Restriction
  on property: has substance type
  some values from: substance type classifier
subclass of: Restriction
  on property: isIdentifiedBy
  some values from: Class
    union of: substance code
    union of: substance identifier
definition: specification for matter of defined composition that has discrete existence, whose origin may be biological, mineral or chemical
note: A substance can be a moiety. A moiety is an entity within a substance that has a complete and continuous molecular structure. The strength of a pharmaceutical product is often based on what is referred to as the active moiety of the molecule, responsible for the physiological or pharmacological action of the drug substance. Chemically, the active moiety of a stoichiometric or non-stoichoimetrical substance molecule is considered that part of the molecule that is the base, free acid or ion molecular part of a salt, solvate, chelate, clathrate, molecular complex or ester.
note: Discrete existence refers to the ability of a substance to exist independently of any other substance. Substances can either be well-defined entities containing definite chemical structures, synthetic (e.g. isomeric mixtures) or naturally-occurring (e.g. conjugated oestrogens) mixtures of chemicals containing definite molecular structures, or materials derived from plants, animals, microorganisms or inorganic matrices for which the chemical structure may be unknown or difficult to define.
note: Substances are further described as single substances, mixture substances or one of a group of specified substances. Single substances are defined using a minimally sufficient set of data elements divided into five types: chemical, protein, nucleic acid, polymer and structurally diverse. Substances may be salts, solvates, free acids, free bases or mixtures of related compounds that are either isolated or synthesized together. Pharmacopoeial terminology and defining characteristics will be used when available and appropriate. Defining elements are dependent on the type of substance.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.84
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2
explanatory note: Note that while the IDMP standards require a substance name for all substances, the ontology deviates from this by making the name optional in the restriction on substance classifier. This is to enable mapping to various source repositories for substance information that do not necessarily provide names but whose defining characteristics include the molecular structure, which is typically more accurate.

substance classification subtype
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: substance classifier
  min qualified cardinality: 0
definition: classifier for the substance classifier indicating a subordinate level of the classification scheme
example: NDF-RT Mechanism of Action (MOA) or Physiological Effect
note: Many classification systems will have multiple subtypes of classification. This field will attempt to capture this information.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2.5

substance classification system
type: Class
subclass of: ClassificationScheme
definition: system for classifying substances based on their characteristics
example: ATC, NDF-RT (National Drug File – Reference Terminology), NCI, AHPA, MESH; Therapeutic Category of Drugs in Japan
note: Classification systems are typically based on molecular structure, chemical properties, pharmacological effects, mechanism of action, therapeutic targets or indication. Although most classification will be associated with an external classification system, ad-hoc classification of substances may be developed within this terminology as needed.
note: Classification systems such as the WHO ATC and NDF-RT, which code classification information to substances, are particularly important.
note: Substance classification terms should be based on a controlled vocabulary that is controlled by the system or type of substance classification. The system [ontology, or system that implements it] should be capable of capturing a variety of classification systems and each system should be identified. All active ingredients are typically classified in multiple systems. Ad hoc classification may be created as necessary.
note: There are a number of systems that classify substances based on chemical structure, pharmacological effect, organ system affected, mechanism of action or molecular targets. These classification systems are useful and this information, if available, should be provided and maintained as applicable.
has conformance level: conformance level - optional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2

substance classification type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: substance classifier
  min qualified cardinality: 0
definition: classifier for the substance classifier indicating the highest level of the classification scheme
example: 'lower' level in ATC
note: Nearly all classification systems contain multiple levels. Type is the highest level or the initial level of the classification system.
has business rules: The value is IMPLICIT and can be derived by the 'Substance Classification — Subtype' if available. Jurisdictional requirements should further define the appropriate level within a code system that should be used.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2.4

substance classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: Class
    union of: moiety
    union of: physical substance
    union of: substance
subclass of: Restriction
  on property: isDefinedIn
  on class: substance classification system
  max qualified cardinality: 1
subclass of: Restriction
  on property: has substance classification type
  on class: substance classification type
  max qualified cardinality: 1
subclass of: Restriction
  on property: isSignifiedBy
  on class: substance classifier code
  max qualified cardinality: 1
subclass of: Restriction
  on property: has substance classifier domain
  on class: substance classifier domain
  max qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: has substance classification subtype
  on class: substance classification subtype
  min qualified cardinality: 0
definition: classifier for substances based on their characteristics
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2
synonym: substance classification

substance classifier code
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Restriction
  on property: denotes
  all values from: substance classifier
definition: code that denotes the substance classifier from the classifying code system
example: N0000175684 NDF-RT code for Oxycodone that maps to the mechanism of action classification. N02AA05 ATC code that maps to Oxycodone.
note: The code should be tied to the substance.
has business rules: The classification code shall be part of an internationally recognized classification system.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

substance classifier domain
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: substance classifier
subclass of: Restriction
  on property: denotes
  all values from: substance classifier
definition: classifier and code that specifies the domain associated with the substance classifier
example: Human pharmaceutical, human vaccine, animal drug, animal vaccine, food, food additive, colourant, pesticide, tobacco additive, flavour, excipient
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

substance code
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: RegisteredIdentifier
subclass of: Restriction
  on property: has comment
  max cardinality: 1
subclass of: Restriction
  on property: has code change date
  max qualified cardinality: 1
  on data range: string
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: identifies
  some values from: Class
    union of: physical substance
    union of: substance
definition: sequence of characters denoting a registered code for a given substance that is associated with a publicly recognized code system
example: 11-22-356; ab02sh
example: CAS Registry numbers, EC numbers, FDA UNII codes, EMA XEVMPD codes, ASK numbers, EPA Pesticide codes
example: These codes include Chemical Abstract Service (CAS) Registry Numbers, European Inventory of Existing Commercial Chemical Substances (EINECS), European Drug Codes (XEVMPD) and Japanese Drug Codes.
note: Codes typically facilitate mapping and linking of substances to a variety of information sources.
note: The actual code shall be captured using the same format that is used in the code system. Only codes associated with a code system shall be captured. The code shall be specifically associated with a given substance. Many public and non-public databases identify substances with a code and these codes can be very helpful in mapping substances to various systems. Codes shall always be verified against the source system. Different jurisdictions may require a code from a code system or multiple code systems to be associated and submitted with a substance.
has business rules: Only codes from recognized code systems will be captured. The code should specifically link to a substance but need not uniquely link to substance. This code can also be a deprecated Substance ID generated based on ISO 11238.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.8
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.5
usage note: Note that although this element is encoded as CD.Code in the ISO/TS 19844 implementation guide, that code type does not exist in the ISO 21090 specification, and this it is modeled as a CD in the ontology.

substance composition
type: Class
subclass of: Composition
subclass of: Restriction
  on property: defines
  all values from: substance
subclass of: Restriction
  on property: defines
  some values from: substance
subclass of: Restriction
  on property: hasRole
  some values from: Class
    union of: ingredient
    union of: moiety role
definition: constituency that defines some substance based on its relationship(s) to some other substance (ingredient) or moiety, potentially in some amount, in some context
example: The substance, triamcinolone acetonide is the parent (constituent) substance of the specified substance Group 1 substance, triamcinolone acetonide, micronized. In this example, the subject role is played by 'triamcinolone acetonide, micronized' and object role by 'triamcinolone acetonide'.
note: Constituent component is part of a mixture belonging to a homologous group of individual components, described as parent substances for the manufacture of an allergenic extract. In this example, the subject role would be played by the mixture, whose object role is played by multiple substances (ingredient roles).
note: Constituents can be impurities, degradants, extraction solvents, vehicles, active markers or signature substances, parent substances or single substances mixed together to form a multi-substance material.
note: Constituents shall have an associated role and amount at the Specified Substance Group 1 information model. Constituent specifications shall be used to describe components as well as limits on impurities or related substances for a given material.
has conformance to ISO level: ConformanceToISOLevel-Extension
synonym: substance relationship
usage note: From an implementation (mapping) perspective, substance constituency provides the basis for a node in the relationship 'substance in the role of a subject realizes an ingredient or moiety role played by some substance or moiety', where the object may have some amount, limit on impurities, or basis of strength, for example, in a given context. Qualifiers such as the context, purity requirements or limits, basis of strength, amont substance should be added to the constituency node, rather than to the roles.

substance identifier
type: Class
subclass of: Classifier
subclass of: RegisteredIdentifier
subclass of: Restriction
  on property: classifies
  some values from: Class
    union of: physical substance
    union of: substance
subclass of: Restriction
  on property: identifies
  some values from: Class
    union of: physical substance
    union of: substance
definition: registered identifier that is non-semantic, random and of fixed length with an internal integrity check
note: A unique identifier shall be assigned to approved and investigational substances, excipients and impurities, solvents, ions, fragments and moieties, each of which shall be defined as a Substance.
note: A variety of chemical and biological nomenclature systems have been developed that describe the pharmacological actions of drugs. Functional naming systems such as INN or USAN are valuable in either describing molecular structure or the biological actions of a substance. However, a unique identifier based on such classification systems may result in greater maintenance requirements because classification schemes often require broad ranges of expertise as well as a controlled terminology. Translation is also always a problem with any semantic system. Once a substance has been defined and assigned a unique identifier it is essential that this identifier be permanently associated with the substance. A substance shall only have one unique identifier. This will necessitate the generation of detailed rules to define substances that will be presented in the ISO/TS 19844 implementation guide.
note: Each substance and specified substance shall have only one permanently associated unique identifier (called respectively Substance-ID, resp. Specified Substance Group 1, 2, 3 or 4-ID) that shall not indicate the order of submission to the registration process. The Substance ID and Specified Substance Group 1, 2, 3 or 4-ID are per definition unique and therefore global.
note: The unique identifiers can be publicly available when the defining information along with the name or company code is publicly available in a single reference. The use of the identifier shall be royalty free.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.5
synonym: Substance ID
synonym: Substance-ID

substance name
type: Class
subclass of: material name
subclass of: Restriction
  on property: isApplicableInJurisdiction
  all values from: GeographicRegionIdentifier
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: has substance name domain
  on class: substance name domain
  min qualified cardinality: 0
subclass of: Restriction
  on property: has substance name type
  on class: substance name classifier
  qualified cardinality: 1
subclass of: Restriction
  on property: has substance name value
  on data range: string
  qualified cardinality: 1
subclass of: Restriction
  on property: hasLanguageCode
  some values from: LanguageIdentifier
subclass of: Restriction
  on property: isNameOf
  some values from: Class
    union of: physical substance
    union of: substance
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4 and Figure 13
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3
definition: name or company code associated with the substance
example: During the early stages of clinical development, the preferred term for a substance can be its company code. In later stages, an INN can be associated with the substance and become the preferred term for that substance.
note: At least one substance name or company code shall be associated with each substance. The element group 'Substance Name' consists of the following attributes: 'Substance Name', 'Substance Name Type', 'Language', 'Substance Name Domain' and 'Jurisdiction'. If the name is an official name, the naming authority used shall be identified by the 'Official Name Type' as well as the 'Official Name Status'.
note: It is anticipated that every substance will have a name in English. Synonyms can be associated with a substance. Translations of English names to other languages can also be accommodated. Language and Jurisdiction will be described using ISO standards.
explanatory note: Although ISO 11238 does not provide any guidance on substance nomenclature, it does provide a structure for the capture of names and codes that are used to refer to a substance. For the purpose of ISO 11238 there are at the moment sixteen types of names, e.g. Official names, systematic names, other names, brand names, company codes, homeopathic names, specified homeopathic names, plasma-derived names, Specified Substance Group 1, 2 and 3 names.
explanatory note: Names for a given substance and/or standardized names submitted by another party may be available in the substance terminology. Indication that a name is the preferred name or term by which a substance will be referred to in a given jurisdiction and domain may be presented in the terminology. This preferred term may vary depending on jurisdiction or domain or the state of development of a given substance.

substance name classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  all values from: substance name
subclass of: Restriction
  on property: denotes
  all values from: substance name
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4 and Figure 13
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
equivalent class: Class
  one of: substance name classifier - brand name
  one of: substance name classifier - common name
  one of: substance name classifier - company code
  one of: substance name classifier - display name
  one of: substance name classifier - herbal name
  one of: substance name classifier - homeopathic name
  one of: substance name classifier - official name
  one of: substance name classifier - other name
  one of: substance name classifier - plasma-derived name
  one of: substance name classifier - preferred name
  one of: substance name classifier - scientific name
  one of: substance name classifier - specified homeopathic name
  one of: substance name classifier - systematic name
definition: classifier that describes the nature of the substance name from a pre-defined ISO 19844 code set
example: Official Name; Systematic Name; Scientific Name; Company Code; Other Name; Brand Name; Herbal Name; Homeopathic Name; Specified Homeopathic Name; Plasma-Derived Name; Preferred Name; Specified Substance Group 1 Name; Specified Substance Group 2 Name; Specified Substance Group 3 Name; Display Name, Common Name; Specified Substance Group 1, Display Name; Specified Substance Group 2, Display Name; Specified Substance Group 3, Display Name; Specified Substance Group 4, Display Name
has business rules: A Substance Name shall always correspond to at least one and only one Substance Name Type. The Preferred Name is the name that describes at least all moieties of a substance and shall be used in all EU languages, e.g. Benzathine Benzylpenicillin tetrahydrate (Dutch: Benzathinebenzylpenicillinetetrahydraat). For the Substance (fresh) (e.g. Harpagophytum procumbens (Burch.) DC. ex Meisn., Root) the Substance Name Type shall be 'Other'. Specified Substance Group 1, 2 and 3 name types are used to guide the user with regards to which level the substance name belongs to e.g. water for injection – Ph.Eur. is a name having the substance name type: Specified Substance Group 3.
has conformance level: conformance level - mandatory
has values allowed: Official Name, Systematic Name, Scientific Name, Company Code, Other Name, Brand Name, Herbal Name, Homeopathic Name, Specified Homeopathic Name, Plasma-Derived Name, Preferred Name, Specified Substance Group 1 Name, Specified Substance Group 2 Name, Specified Substance Group 3 Name, Display Name, Common Name
is encoded as: DatatypeCode-CD
synonym: SUBSTANCE_NAME_TYPE: CD
synonym: substance name type

substance name classifier - brand name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name by which a company identifies a given substance typically for marketing purposes
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Brand Name

substance name classifier - common name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name that is a commonly used name for a given substance
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Common Name

substance name classifier - company code
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name associated with a given substance that is an internal corporate code
example: During the early stages of clinical development, the preferred term for a substance can be its company code. In later stages, an INN can be associated with the substance and become the preferred term for that substance.
note: A company code may be used in cases where no official name is available and if it is associated with defining information and is found together in at least one single reference that is from a reputable source in the public domain (i.e. scientific journal, presentations or posters at scientific conferences, company publication, patent or published patent application, public databases such as STN from CAS).
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Company Code

substance name classifier - display name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name that is used in applications that show the name of the substance in some user interface
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Display Name

substance name classifier - herbal name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name of an herbal substance
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Herbal Name

substance name classifier - homeopathic name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name of a substance used in homeopathic products
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Homeopathic Name

substance name classifier - official name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2, B.4.27
definition: substance name classifier for a name that is typically nonproprietary used in a given jurisdiction and domain to refer to a specific substance
example: INN: International Nonproprietary Name, also known as rINN, recommended International Nonproprietary Name or pINN, proposed International Nonproprietary Name or INNM, Modified International Nonproprietary Name published by WHO: World Health Organization: in accordance with rules.
note: The domain, jurisdiction, and authority that assigned the name (USAN, INN, JAN etc.) and the language of the name are also captured.
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Official

substance name classifier - other name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name associated with a given substance that is considered a synonym
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Other Name

substance name classifier - plasma-derived name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name for a plasma-derived substance
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Plasma-Derived Name

substance name classifier - preferred name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name that is considered to be the best choice in some context
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Preferred Name

substance name classifier - scientific name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2, 6.9.5
definition: substance name classifier for a name that is the taxonomic name for an organism
note: The accepted scientific name for plants is provided by Kew Gardens' Medicinal Plant Names Services (MPNS). The names for other organisms will be provided by other authoritative sources.
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Scientific Name

substance name classifier - specified homeopathic name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name for a specified homeopathic substance
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Specified Homeopathic Name

substance name classifier - specified substance group 1 name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name of a substance classified as a member of specified substance group 1
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Specified Substance Group 1 Name

substance name classifier - specified substance group 2 name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name of a substance classified as a member of specified substance group 2
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Specified Substance Group 2 Name

substance name classifier - specified substance group 3 name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
definition: substance name classifier for a name of a substance classified as a member of specified substance group 3
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Specified Substance Group 3 Name

substance name classifier - systematic name
type: NamedIndividual
type: substance name classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2, B.6.2
definition: substance name classifier for a name that is typically be used for simple chemicals and structurally diverse materials where the definitions are based on a chemical structure or systematic taxonomic information
example: IUPAC name, CAS Registry Name and definitions of a Pharmacopoeial Monograph
note: For chemicals, these names are typically derived from IUPAC or CAS systems of nomenclature. From the systematic names of chemicals, a molecular structure can typically be derived and the name can be checked by a number of chemical drawing programmes that convert a given name to a molecular structure.
is member of: ISO 11238 - substance name classifier vocabulary
is defined in: ISO 11238 - substance name classifier vocabulary
has text value: Systematic Name

substance name domain
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: substance name
  min qualified cardinality: 0
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.4
definition: classifier that specifies when and for what purpose the name is to be used
example: The terms DRUG and BIOLOGIC could be used in Japan and the US as official name domain. In the EU the term MEDICINE may cover the name of many substances that would be either DRUG or BIOLOGIC in the US and Japan.
note: All substance names can have at least one domain. This is useful to differentiate different names for the same substance as used for a drug active ingredient as opposed to a food colour additive. The domain and the actual name of a domain will vary according to jurisdiction.

substance relationship
type: Class
subclass of: Aspect
subclass of: Restriction
  on property: has related substance name
  all values from: substance name
subclass of: Restriction
  on property: has related substance identifier
  all values from: Class
    union of: substance code
    union of: substance identifier
subclass of: Restriction
  on property: has amount
  on class: amount
  max qualified cardinality: 1
subclass of: Restriction
  on property: isSignifiedBy
  on class: substance relationship code
  max qualified cardinality: 1
subclass of: Restriction
  on property: isClassifiedBy
  on class: substance relationship type
  max qualified cardinality: 1
subclass of: Restriction
  on property: has related substance
  on class: Class
    union of: moiety
    union of: physical substance
    union of: substance
  max qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: is defining substance relationship
  on data range: boolean
  qualified cardinality: 1
subclass of: Restriction
  on property: has subject substance
  some values from: Class
    union of: moiety
    union of: physical substance
    union of: substance
definition: reified relationship from a given substance (or physical substance or moiety) to another substance (or physical substance or moiety) based on their characteristics and/or predefined rules
example: Example: the active moiety of the salt amlodipine besilate hydrate (1:1:1) is the related substance amlodipine. The salt amlodipine besilate hydrate contains 69.8 % w/w of amlodipine. Therefore, the equivalence factor is 0,698, meaning 10 mg amlodipine besilate hydrate salt corresponds to 6,98 (approx. to 7 mg) amlodipine active moiety.
note: Relationships between substances such as the relationship between a salt form and its active moiety or parent substance should be captured. These relationships are often essential to the description of medicinal products, the basis of strength and the classification of substances. These relationships are often obvious and rules will be developed for specifying substances involved in each type of relationship. For example, the active moiety of all sodium salts would be the free acid, conversely the active moiety of a hydrochloride salt would be a free base.
note: The Equivalence Factor is captured by the element group Amount in combination with the element group Substance Relationship as Amount Text.
has business rules: The Equivalence Factor shall be ≤1,00. It is formed by dividing the molecular weight of the (parent) substance (active moiety)/molecular weight of the corresponding salt or salt hydrate or hydrate.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3 and Figure 8

substance relationship code
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Restriction
  on property: denotes
  on class: substance relationship
  min qualified cardinality: 0
definition: code that denotes the actual connection between the two substances which may be different for different kinds of relationships
example: parent, active moiety, salt, parent molecule to salt/solvate, parent molecule to co-crystal, salt to parent, hydrate to parent, parent substance to salt-hydrate, radiolabelled, prodrug, metabolite, impurity, enantiomer, starting material, processing material, resultant material, polymer to polymer, protein to polymer, polymer to protein, protein to protein, parent polymer to polymer
note: There are a variety of different relationships that are possible but for the identification of medicinal products the most important relationships are between a substance, its active moieties, the basis of strength and constituents in herbal and other complex substances. Parent and salt-solvate relationships and relationship of drug substance to its metabolites and impurities are also important although not essential for the description of a medicinal product. If there are known relationships between substances the relationships should be provided and maintained. The parent-active moiety relationship may be essential in describing medicinal products.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3.3

substance relationship type
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: substance relationship
  min qualified cardinality: 0
definition: code that classifies the connection between the two substances based on the interaction between them
example: ionic, Van der Waals interaction, adjuvant absorption agent, sized polymer, hydrolysis, covalent attachment
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3.4

substance role
type: Class
subclass of: FunctionalRole
subclass of: Restriction
  on property: isPlayedBy
  some values from: substance
definition: functional role played by a substance in another substance or that is part of or used in the preparation of some manufactured item, or pharmaceutical product, medication, or drug
note: A pharmacological role is related to the composition, properties, or action of a substance or ingredient in another substance or pharmaceutical product. It covers adjuvant and expedient, which are roles played by the substance components in a pharmaceutical product, but it can also be used for treated disease, patient, packaging and routes of administrations, all of which are roles that are studied in the science of pharmacology and have an impact on the drug's effects.
has conformance to ISO level: ConformanceToISOLevel-Extension

substance type classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: substance
  min qualified cardinality: 0
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1, Figure 5 and Table 2
definition: classifier that describes the nature of the substance from a pre-defined ISO 19844 code set
example: Chemical, Protein, Nucleic acid, Polymer, Structurally Diverse, Mixture
has business rules: For each substance type, a qualification is possible, e.g. Structuraly Diverse (Plasma-derived), Structurally Diverse (Herbal Substance), Structurally Diverse (Herbal Drug), Structurally Diverse (Allergen Substance), Polymer (Biopolymer), Protein (Recombinant), Protein (Naturally-derived), Protein (Allergen, Naturally-derived), Chemical (Mineral, naturally occurring substance), Mixture (Homologous Group of Allergen Source Material), etc. In these cases, the qualifier shall also be captured at the Substance Name Type attribute described in and shall always coupled with the substance name. Example: Substance Type: Structurally Diverse Substance Name Type: Plasma-derived Substance Name: Human Albumin, Plasma-derived (see also ) In all these cases, a new ID shall be issued, that is, 'Human Albumin, Plasma-derived' shall have a distinct identifier from 'Human Albumin, Recombinant'.
has conformance level: conformance level - mandatory
has values allowed: Chemical, Protein, Nucleic Acid, Polymer, Structurally Diverse, Mixture, Specified Substance Group 1, Specified Substance Group 2, Specified Substance Group 3, Specified Substance Group 4
is encoded as: DatatypeCode-CD
synonym: substance type
synonym: type of substance

substance type classifier - chemical
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.11
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of substance that can be described as a stoichiometric or non-stoichiometric single molecular entity and is not a protein, nucleic acid or polymer substance
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Chemical

substance type classifier - mixture
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.44
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of polydisperse substance that is a combination of single substances isolated together or produced in the same synthetic process
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Mixture

substance type classifier - nucleic acid
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.54
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of substance that can be defined by a linear sequence of nucleosides typically linked through phosphate or phosphate-like diester bonds
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Nucleic Acid

substance type classifier - polymer
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.63
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of polydisperse substance that contains structural repeat units linked by covalent bonds
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Polymer

substance type classifier - protein
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.68
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of substance with a defined sequence of alpha-amino acids connected through peptide bonds
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Protein

substance type classifier - specified substance group 1
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.78
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a substance defined by groups of elements that describes multi-substance materials or specifies further information on substances relevant to the description of Medicinal Products
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Specified Substance Group 1

substance type classifier - specified substance group 2
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.78
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a substance defined by groups of elements that describes multi-substance materials or specifies further information on substances relevant to the description of Medicinal Products
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Specified Substance Group 2

substance type classifier - specified substance group 3
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.78
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a substance defined by groups of elements that describes multi-substance materials or specifies further information on substances relevant to the description of Medicinal Products
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Specified Substance Group 3

substance type classifier - specified substance group 4
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.78
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a substance defined by groups of elements that describes multi-substance materials or specifies further information on substances relevant to the description of Medicinal Products
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Specified Substance Group 4

substance type classifier - structurally diverse
type: NamedIndividual
type: substance type classifier
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.83
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause clause 6.2.1, Table 2
definition: classifier for a type of polydisperse substance isolated from a single source that is a complex combination which cannot be described as a mixture of a limited number of single substances
is member of: ISO 19844 code set
is defined in: ISO 11238 classification scheme
has text value: Structurally Diverse

sugar
type: Class
subclass of: chemical substance
subclass of: Restriction
  on property: has sugar name
  on class: substance name
  qualified cardinality: 1
subclass of: Restriction
  on property: has sugar identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  qualified cardinality: 1
subclass of: Restriction
  on property: has residue site
  on data range: string
  qualified cardinality: 1
definition: short chain carbohydrate molecule that has hydroxyl groups attached to each carbon atom unit with the exception of one carbon that has a doubly-bond aldehyde or ketone oxygen
note: As a chemical term, 'sugar' typically refers to carbohydrates of the general formula Cn(H2O)n.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
adapted from: Medical Subject Headings (MeSH, see http://purl.bioontology.org/ontology/MESH/D000073893
usage note: In the context of the ISO 11238 standard, the term 'sugar' is used to mean 'sugar or sugar-like entity'.

target
type: Class
subclass of: Specification
subclass of: Restriction
  on property: has interaction type
  all values from: interaction type
subclass of: Restriction
  on property: has target organism
  all values from: organism
subclass of: Restriction
  on property: has target organism type
  all values from: Class
    union of: taxon
    union of: source material type
subclass of: Restriction
  on property: has amount
  on class: amount
  max qualified cardinality: 1
subclass of: Restriction
  on property: has target name
  on class: substance name
  max qualified cardinality: 1
subclass of: Restriction
  on property: has target identifier
  on class: Class
    union of: substance code
    union of: substance identifier
  max qualified cardinality: 1
subclass of: Restriction
  on property: isDescribedBy
  on class: reference source
  min qualified cardinality: 0
subclass of: Restriction
  on property: has target type
  on class: target classifier
  min qualified cardinality: 0
definition: something that a substance is known to interact with and the interaction results in a biological effect or transformation
note: For monoclonal antibodies, the target shall always be provided. For other types substances, the target may be provided if known. Ideally the target is a substance with its own Substance ID. However, in specific circumstances, the target may be handled as a relationship between two substances.
note: Genes from which proteins are derived, target information and codes from code systems also constitute reference information for which [ISO 11238] provides a consistent structure to capture and link to a substance. Classification systems such as the WHO ATC and the United States Veterans Administration NDF-RT, which code classification information for substances, are particularly important. Target information is important for monoclonal and polyclonal antibodies and small molecules directed against specific molecular targets.
note: These targets can be therapeutic, metabolic, interactions postulated to result in toxicity or interactions of unknown effect. Targets are typically proteins, or complexes of proteins. The target may be a substance in its own right and ID shall be assigned and/or existing ID of a known system used (i.e. GenBank, UniProt) to refer to a target.
has conformance level: conformance level - conditional
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4 and Figure 8

target classifier
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: classifies
  on class: target
  min qualified cardinality: 0
definition: classifier associated with a target of an active substance
example: The therapeutic target would be HIV-1 protease when ritonavir is used in HIV-related therapy. The metabolic target is Cyp 3A4 and ritonavir is an inhibitor of this target. Ritonavir is also an inhibitor of P-glycoprotein, a drug transporter. In many combination products ritonavir is used strictly to inhibit Cyp 3A4/5 and transporter enzymes.
example: therapeutic, metabolic, toxic, transporter
note: The type is dependent on the substance and also to some extent the use of the substance. A given target-substance interaction can be of more than one type.
note: Type is a limited form of classification associated with a target of an active substance. Some targets can be both toxic and therapeutic; the choice is dependent on the dose (Km value) of a given substance.
has business rules: Each target should be associated with a target type when the target can be classified.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.6 and Figure 8
synonym: TARGET_TYPE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

target interaction
type: Class
subclass of: Situation
subclass of: Restriction
  on property: isClassifiedBy
  on class: interaction type
  min qualified cardinality: 0
subclass of: Restriction
  on property: hasObjectRole
  some values from: Restriction
    on property: isPlayedBy
    some values from: target
subclass of: Restriction
  on property: hasSubjectRole
  some values from: Restriction
    on property: isPlayedBy
    on class: substance
    min qualified cardinality: 0
definition: interaction that may occur between a substance and its target
example: AGONIST, INDUCER, INHIBITOR, PARTIAL ANTAGONIST, SUBSTRATE, PRODUCT
note: A controlled vocabulary should be developed to capture these types of interactions. The interaction type should be captured for all substrate-target interactions. A substance can have multiple types of interactions.
has conformance to ISO level: ConformanceToISOLevel-Extension
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.3

taxon
type: Class
subclass of: ISO21090-ConceptDescriptor
subclass of: Classifier
subclass of: Restriction
  on property: isMemberOf
  on class: taxonomy
  min qualified cardinality: 0
subclass of: Restriction
  on property: isDefinedIn
  on class: taxonomy
  min qualified cardinality: 0
subclass of: Restriction
  on property: denotes
  on class: Class
    union of: organism
    union of: physical organism
  min qualified cardinality: 0
subclass of: Restriction
  on property: classifies
  on class: Class
    union of: organism
    union of: physical organism
  min qualified cardinality: 0
definition: ranked category for the classification of an organism according to its suspected evolutionary relationships
has conformance to ISO level: ConformanceToISOLevel-Extension

taxonomic class
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic subdivision directly under phylum
example: Mammalia, Maxillopoda, Sauropsida. Ginkgoopsida
note: A taxonomic class represents a major group of organisms, e.g. Mammalia, Reptilia, Gastropoda, Insecta, etc., that contains a large number of different sublineages, but have shared characteristics in common (e.g. warm-blooded, fur, six legs etc.).
has business rules: This is derived from the species and is referenced from an appropriate terminology/taxonomy. Catalogue of Life typically captures complete taxonomy in a manner consistent with this standard.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: CLASS: CD
synonym: class taxon

taxonomic family
type: Class
subclass of: taxon
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
definition: taxonomic category between order and genus
example: Ginkgoaceae
note: A taxonomic family consists of a group of organisms among which the differences are quite minor, e.g. Equiidae - horses and their relatives.
has business rules: This is implied by the species and is referenced from an appropriate terminology/taxonomy, e.g. Kew Gardens Medicinal Plant Names Services for plants. Catalogue of Life typically captures complete taxonomy in a manner consistent with this standard.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5, Figure 17
synonym: FAMILY: CD
synonym: family taxon

taxonomy
type: Class
subclass of: ClassificationScheme
subclass of: Nomenclature
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13
definition: scientific organism classification system that describes the origin of source material in substances isolated from biological matrices
note: Substances of organic origin, such as plants and animals, should be defined simply by taxonomic information and the organism part. Taxonomic information, particularly the scientific name of an organism (usually a species, but may be a genus or an intraspecies), is essential for defining such substances in medicinal products.
note: Taxonomic information is captured to the species level for all polydisperse substances isolated from biological matrices, if such information is available and the source material is consistently derived from the species. Taxonomic family, genus and species along with the taxon author are necessary to identify the source organism. Kingdom, phylum, class and order are also captured when available. Intraspecific information (e.g. subspecies, strain or variety) is captured when the forms exhibit consistent differences in either material content or function.
note: The Kew Gardens Medicinal Plant Names Services (MPNS) should be the authoritative source for all scientific names of plants (see E.2.2 for further details). The expert opinion for fungi should be obtained from Species Fungorum (http://www.speciesfungorum.org/) which is managed and maintained by Kew Gardens. Taxonomic information for most other organisms is available through Catalogue of Life (COL, currently 1,600,000+ organsims, http://www.catalogueoflife.org/col/) and its 151 contributing source databases. The most notable contributors are Kew Gardens and the Integrated Taxonomic Information System (www.itis.gov). COL has integrated the source datasets into a common seven level taxonomic tree using an eight-kingdom model and includes intraspecifics where relevant. For organisms omitted in the above sources, NCBI taxonomy (http://www.ncbi.nlm.nih.gov/taxonomy) is the most useful source database. The higher levels of taxonomy are useful but all levels above family are not required for organism definition. The primary definition of organism is the combination of genus and species together with the describing author and family in that order providing validation. Intraspecific type, description and hybrid characteristics are also definitional where appropriate. The organism should be described as whole with no other characteristics. Because taxonomy is continuously changing, new organism identifiers should only be generated after analysing potential collisions with existing identifiers using the above public datasets and/or conferring with appropriate taxonomic experts. Developmental stage, part and viral strain characteristics should be associated with separate identifiers that refer back to the whole organism parent substance.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.88, 7.2.5
explanatory note: The NCI Thesaurus defines taxonomy as 'the theories and techniques of naming, describing, and classifying organisms, and the study of the relationships of taxa'.

has active moiety
type: ObjectProperty
sub property of: has moiety
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
domain: substance
range: moiety
inverse of: is active moiety of
definition: relates a substance directly to an active moiety

has agent modification type
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.1
range: agent modification type
definition: indicates the kind of agent that caused the modification
example: chemical, enzymatic, immunological, organism, UV radiation
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD

has alternate material
type: ObjectProperty
sub property of: comprises
range: Class
  union of: material specification
  union of: material classifier
  union of: substance
definition: relates a material specification to a another material specification, material classifier or substance, that is allowed to be alternatively used when manufacturing the material

has amount
type: ObjectProperty
range: amount
definition: relates something to an absolute or relative quantification of mass, volume or amount of substance
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.8
usage note: Note that this property does not have a superproperty because that superproperty depends on usage. In many cases, 'specifies' is the appropriate superproperty, but not in the case of a measurement of some physical amount of a substance.

has amount text
type: DatatypeProperty
sub property of: hasTextValue
definition: has text describing an amount

has amount type
type: ObjectProperty
sub property of: isClassifiedBy
domain: amount
range: amount type
definition: indicates how a numeric amount is to be interpreted
example: Exact (the default, when not specified); Approximate; NLT; NMT
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 6.8.1

has area of hybridization
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: provides a textual specification for an area of hybridization, if applicable, for double stranded RNA or DNA
example: Each residue shall be specified followed by a comma and space.
note: The number associated with the subunit followed by the number associated to the residue shall be specified in increasing order. The underscore '_' shall be used as separator as follows: 'Subunit_number Residue'.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has atomic number
type: DatatypeProperty
sub property of: hasIntegerValue
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
source: Quantities, Units, and Symbols in Physical Chemistry, IUPAC Green Book, 2nd ed., p. 20
range: positiveInteger
definition: number of protons in an atomic nucleus
symbol: Z
synonym: has nuclear charge number
synonym: has proton number

has author
type: ObjectProperty
sub property of: isProvidedBy
sub property of: hasRole
domain: Class
  union of: Document
  union of: Reference
range: author
inverse of: is author of
definition: indicates the party responsible for the creation of a publication, document or research, including data
has conformance to ISO level: ConformanceToISOLevel-Extension

has author description
type: DatatypeProperty
sub property of: hasDescription
domain: author
range: string
definition: describes the party responsible for the creation of a publication, document, or of research, including data
example: L.; Sch.Bip; Linnaeus, 1766
note: The author of an organism species should be specified. The author year of an organism shall also be specified when applicable; refers to the year in which the first author(s) published the intraspecific plant/animal name (of any rank).
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.5 and Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13.6 and Figure 19

has average molecular formula by repeat unit
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies representation of an (average) molecular formula from a polymer
example: HO(C2H4O)141(C3H6O)44(C2H4O)141H
has business rules: The element shall be captured for polymers only. The structural repeat unit shall have a distinct stoichiometric composition. When the substituents within SRU are variable the information may not be provided.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has business rules
type: AnnotationProperty
definition: describes the nature of the rules to be applied for a given class or element in cases where that element is conditionally required for conformance per the ISO 19844 guideline

has c-glycosylation site
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies a site of c-glycosylation (tryptophan)
example: Position 45 of this Subunit, a Tryptophan
note: The consensus sequence for C-glycosylation is WxxW/F where the first tryptophan undergoes C-mannosylation.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 20
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.8

has C-terminal modification
type: ObjectProperty
sub property of: has modification
range: Class
  union of: modification
  union of: modification method
definition: relates a protein subunit to the modification made at the c-terminal of the protein
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26

has C-terminal modification identifier
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: substance code
  union of: substance identifier
definition: relates a protein subunit to an identifier for the molecular fragment modified at the c-terminal of the protein based on the ISO 11238 Substance ID
example: UNII code, K3Z4F99H6 (UNII), Lysine (K)
has conformance level: conformance level - conditional
has values allowed: If a C-terminal modification exists, this element becomes mandatory. The preferred name as specified in ISO 11238 is the default value. The value is implicit and derived based on the C_Terminal Modification ID.
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4

has C-terminal modification name
type: ObjectProperty
sub property of: has related substance name
range: substance name
definition: relates a protein subunit to the name of the molecular fragment modified at the c-terminal of the protein
example: Glycinamid, Lysine
has business rules: If a C-terminal modification exists, this element becomes mandatory. The preferred name as specified in ISO 11238 is the default value. The value is implicit and derived based on the C_Terminal Modification ID.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 substance names
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4
synonym: has C-terminal modification

has code change date
type: DatatypeProperty
sub property of: hasDateValue
domain: substance code
range: string
definition: indicates the date on which the status of a substance code has changed
example: 20110601
note: The date at which the code status is changed as part of the terminology maintenance.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-TS
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.8, Figure 18
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.5.5

has comment
type: DatatypeProperty
sub property of: hasTextValue
definition: indicates a remark
note: Any comment can be provided in this field, if necessary.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 16, 18, and 19-23
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.1 and Figure 8

has conformance level
type: AnnotationProperty
range: conformance level
definition: indicates whether a given class or element is mandatory, conditional, or optional with respect to a given substance type or specified substance group for reporting information per the ISO 19844 guideline

has corresponding document
type: DatatypeProperty
sub property of: hasReferenceURL
definition: indicates a link to the actual physical document associated with the description of a reference source document
example: PDF, TEXT
has conformance level: conformance level - optional
has values allowed: The documents can be saved as PDF files or TEXT files. If the documents or data source contains structured data such as spectra, it can be transmitted in a standard format that can be visualized and searched.
is encoded as: DatatypeCode-ED
has conformance to ISO level: ConformanceToISOLevel-NonConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.7.2

has country of origin
type: ObjectProperty
property chain axiom: hasCountry
property chain axiom: isIdentifiedBy
definition: relates something, such as source material, to the country from which it was harvested or sourced
example: NL, DE, FR, ES, US. This is in line with Table G1 of the Annex G of ISO/TS 19844:2018(E), and it is the largest collection of countries
note: The country where the plant material is harvested or the countries where the plasma is sourced from as laid down in accordance with the Plasma Master File. For 'Plasma-derived substances' the attribute country of origin provides information about the countries used for the manufacturing of the Cryopoor plama or Cryoprecipitate.
has business rules: This attribute is mandatory when the substance name type is herbal or plasma-derived. When the information for herbals is provided at the substance level it is not necessary to provide the same information again at the specified group 1 information level.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.8

has daughter nuclide
type: ObjectProperty
sub property of: isRelatedTo
domain: radionuclide
range: nuclide
inverse of: has parent nuclide
definition: indicates a nuclide produced as result of radioactive decay
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, chapter B.9

has defining molecular formula
type: ObjectProperty
property chain axiom: specifies
property chain axiom: has molecular formula
definition: relates a substance to a formal specification of its molecular formula
note: Molecular formula is written as a sequence of pairs of atom symbol and stoichiometric number (see example below). This formal notation is essentially a code system. Specified according to the Hill system, i.e. first C, then H, then alphabetical.
note: The messaging requirements can dictate a specific electronic format for the molecular formula and the molecular formula by moiety.
has business rules: Can be implicitly derived from the structure; Validity check for identity and structural representation. Molecular formula is not mandatory in the case of a large protein (e.g. more than 10k Da), a large nucleic acid or a large polymer. For small molecules up to molecular weight of 5 000 the unit should be g/mol; above that the Da/kDa is to be used.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2

has defining molecular formula by moiety
type: ObjectProperty
property chain axiom: specifies
property chain axiom: has molecular formula by moiety
definition: relates a substance to a formal specification of its molecular formula by moiety
note: In non-cyclic linear structures like sodium nitroprusside: Na2[Fe(CN)5(NO)].2H2O, a non-cyclic structure is constructed in the following order: a) symbol of the central atom placed on the left; b) ionic ligands with cations first then anions; c) neutral ligands.
note: The messaging requirements can dictate a specific electronic format for the molecular formula and the molecular formula by moiety.
note: The molecular formula of the chemical salt Amlodipine besilate is described as C20H25ClN2O5.C6H6O3S.
has business rules: Can be implicitly derived from the structure; Validity check for identity and structural representation. For a salt/hydrate the molecular formula of the base or the acid and the salt/hydrate part are separated by a dot per moiety, e.g. Desmopressin Monoacetate Trihydrate: Molecular formula by moiety: C46H64N14O12S2.C2H4O2.3H2O.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.4

has defining molecular weight
type: ObjectProperty
property chain axiom: specifies
property chain axiom: has molecular weight
definition: relates a substance to a formal specification of its molecular weight
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.5, Figure 10

has defining number of moieties
type: DatatypeProperty
sub property of: hasIntegerValue
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.4
domain: single substance
range: integer
definition: indicates the number of moieties that define a substance (classifier) that contains complete chemical structures and definite stoichiometric ratios among moieties
note: The number of moieties specified should be provided. Non-stoichiometric chemical substances shall have at least two moieties. Each moiety shall be represented by a chemical structure.
has business rules: The numeric value shall be always greater than or equal to 2; The value is automatically calculated (Implicit) based on the number of Moieties; if the numeric value is equal to 1, the class Moiety shall not be used.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-INT

has defining stereochemistry
type: ObjectProperty
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2 Figure 14
property chain axiom: specifies
property chain axiom: has stereochemistry
definition: is classified by the relative spatial arrangement of atoms within molecules
has business rules: When the substance type, as defined in is either chemical or polymer, this class is MANDATORY; for all other cases this class is CONDITIONAL.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

has defining structure
type: ObjectProperty
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2 Figure 10
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2 Figure 3
property chain axiom: specifies
property chain axiom: has structure
definition: indicates any arrangement and/or organization of interrelated elements in a specification for a substance

has disulfide linkage
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies a disulfide bond between two cysteine residues either on the same subunit or on two different subunits
example: 'Subunit 1 position 10 — Subunit 2 position 16' refers to a disulfide linkage between the residue of cysteine in the position 10 and 16 respectively of the first and second subunit. A convenient shorthand such as 1_10-2_16 could also be used.
note: Disulfide linkages imply that two cysteines connect forming a sulfur to sulfur linkage. There are also instances where disulfide linkages can be formed through other modified or substituted acids or amino acids containing a thiol.
note: The position of the disulfide bonds in the protein shall be listed in increasing order of subunit number and position within subunit followed by the abbreviation of the amino acids involved. The disulfide linkage positions shall actually contain the amino acid Cysteine at the respective positions.
has conformance level: conformance level - conditional
has values allowed: The values have to be separated with semi-colons as defined in the examples.
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4

has effective date
type: DatatypeProperty
sub property of: hasDateValue
range: string
definition: indicates the date on which something, such as an event, substance, or product, takes place or is effective
example: 20110219
note: The date when the substance was effective should be provided in line with the ISO 8601 date format. This shall be defined when the substance is generated or modified.
has business rules: The value may be implicitly derived.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-TS
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.12.2
usage note: The effective date is mandatory from a version perspective in ISO 11238, but may be optional or conditional when used in conjuction with other concepts.

has five prime substance identifier
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: substance code
  union of: substance identifier
definition: relates a nucleic acid subunit to the unique identifier of the five prime
example: JKUHT76541 (Artificial ID)
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has five prime substance name
type: ObjectProperty
sub property of: has related substance name
range: substance name
definition: relates a nucleic acid subunit to the nucleotide present at the 5' terminal
example: Tymidine (T)
note: The nucleotide present at the 5' terminal should be specified based on a controlled vocabulary. Since the sequence is represented from the 5' to the 3'end, the 5' prime nucleotide is the letter at the first position in the sequence. A separate representation would be redundant.
has business rules: Implicit. If not specified in the available reference source this value shall be derived from the nucleic acid sequence.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance Name
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has fragment description
type: DatatypeProperty
sub property of: hasDescription
domain: organism fraction
range: string
definition: provides information about the fraction of a plant part, or human plasma for fractionation
example: oils; juice; exudates; liquid or dry extract; polyclonal antibodies; serum; Cryopoor plasma; Cryoprecipitate, faecal fraction, body fraction; water soluble freeze-dried extract; water soluble extract; process flow 'N'
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.12

has geographical location
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies the place/region where the plant is harvested or the places/regions where the animal source material has its habitat
example: Shaanxi Province, China
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.9

has granular molecular part
type: ObjectProperty
sub property of: has granular part
domain: Class
  union of: moiety
  union of: physical substance
  union of: substance
range: molecular entity
inverse of: is granular molecular part of
definition: relates a portion of a physical substance (or specification thereof) to one of the scattered molecular entities (atoms, ions or molecules) that the substance is composed of at the molecular level
usage note: This relation is used in formal definitions that use the molecular scope as means for defining matter. A specific molecular entity can not be identified and distinguished from others, so using the property in a data model is usually wrong.

has granular part
type: ObjectProperty
sub property of: comprises
source: Bittner, Thomas & Smith, Barry (2003). A Theory of Granular Partitions. In M. Duckham, M. F. Goodchild & M. F. Worboys (eds.), Foundations of Geographic Information Science. London: Taylor & Francis. pp. 117-151.
inverse of: is granular part of
definition: relation between a collective of granular things to its granular parts
example: A portion of water has granular part a water molecule.
example: A sack of rice has granular part a rice grain.

has half life
type: ObjectProperty
sub property of: hasQuantityValue
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997)
source: PAC, 1994, 66, 2513. (Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994)) on page 2520
domain: Class
  union of: isotope
  union of: nuclide
range: ScalarQuantityValue
definition: for a single radioactive decay process, the time required for the activity to decrease to half its value by that process
example: 109,77 min (¹⁸F)
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.4
explanatory note: The half life of a non-natural nuclide.
synonym: has radioactive half life

has InChI
type: ObjectProperty
sub property of: isDescribedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: IUPAC International Chemical Identifier
definition: links something, such as a molecular structure, to a specification for a linear, layered representation of a chemical structure
has conformance level: conformance level - conditional
synonym: has IUPAC International Chemical Identifier

has InChI Key
type: ObjectProperty
sub property of: isDescribedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: IUPAC International Chemical Identifier Key
definition: links something, such as a molecular structure, to a textual specification for a fixed length (25 characters) condensed digital representation of an InChI
has conformance level: conformance level - conditional
synonym: has IUPAC International Chemical Identifier Key

has InChIKey value
type: DatatypeProperty
sub property of: has structural representation text
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: string
definition: provides a textual specification for a fixed length (25 characters) condensed digital representation of an InChI
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
synonym: has IUPAC International Chemical Identifier Key value

has InChI value
type: DatatypeProperty
sub property of: has structural representation text
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: string
definition: provides a textual specification for a linear, layered representation of a chemical structure
note: The system was primarily developed at the National Institute of Standards and Technology in the USA. InChI is a non-proprietary structural representation and the software necessary to generate InChIs are provided under an open-source LGPL.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
synonym: has IUPAC International Chemical Identifier value

has ingredient
type: ObjectProperty
sub property of: manifests
range: ingredient
definition: relates a substance or product composition to an ingredient of that composition
usage note: This property should be used primarily in a manufacturing context where differentiation of substances or pharmaceutical products in a product from other elements that play roles in the manufacturing context is important.

has interaction type
type: ObjectProperty
property chain axiom: isObjectRoleIn
property chain axiom: isClassifiedBy
definition: relates a target to a kind of interaction it has with a given substance
example: AGONIST, INDUCER, INHIBITOR, PARTIAL ANTAGONIST, SUBSTRATE, PRODUCT
note: A controlled vocabulary should be developed to capture these types of interactions. The interaction type should be captured for all substrate-target interactions. A substance can have multiple types of interactions.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.3

has intraspecific description
type: DatatypeProperty
sub property of: hasDescription
domain: organism
range: string
definition: describes strains, serotypes, varieties, cultivars and cell lines
example: A/BRISBANE/59/2007(H1N1)
note: Intraspecific information should be used to describe strains, serotypes, varieties, cultivars and cell lines. Often there is not a naming or taxonomic authority for this information. Standardized formats for this information may be developed. The actual intraspecific information should also be captured in the naming of these substances and synonyms should be maintained to help to identify intraspecific information and avoid duplication. For plants, the intraspecific description will be the variety or subspecies name from the Medicinal Plant Names Services portal, and for other organisms, such as animals, the appropriate taxonomy will be used.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13

has isotope substitution type
type: ObjectProperty
sub property of: isClassifiedBy
domain: isotope
range: isotopic substitution classifier
definition: is classified by an isotope substitution classifier
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.7.3

has linkage connectivity
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: provides a textual indication of the orientation of the linkage
note: For nearly all naturally occurring nucleic acids the linkage is a phosphate group. For many synthetic oligonucleotides phosphorothioate linkages are often seen. Linkage connectivity is assumed to be 3’→5’. If the linkage is either 3’→3’ or 5’→5’ this should be specified.
has conformance level: conformance level - conditional
has values allowed: 3’→5’, 3’→3’ or 5’→5’
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has linkage identifier
type: ObjectProperty
sub property of: isIdentifiedBy
range: Class
  union of: substance code
  union of: substance identifier
definition: relates an interconnection (linkage), registered as a fragment, to its unique substance identifier
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has linkage name
type: ObjectProperty
sub property of: has substance name
range: substance name
definition: relates an interconnection (linkage), registered as a fragment, to its registered name
example: Phosphothioate
note: A single name should be assigned to each linkage.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance Name
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has mass number
type: DatatypeProperty
sub property of: hasIntegerValue
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
source: Quantities, Units, and Symbols in Physical Chemistry, IUPAC Green Book, 2nd ed., p. 20
range: positiveInteger
definition: indicates the total number of heavy particles (protons and neutrons jointly called nucleons) in the atomic nucleus
symbol: A
symbol: m
synonym: has nucleon number

has material
type: ObjectProperty
sub property of: comprises
range: Class
  union of: material specification
  union of: material classifier
  union of: substance
definition: relates a material specification or material to a another material specification, material classifier or substance that the material is made of

has material component type
type: ObjectProperty
sub property of: isClassifiedBy
range: material classifier
definition: relates a material component specification to the type of component used for the material component
synonym: has component type

has maternal parent organism identified by
type: ObjectProperty
sub property of: has parent substance identified by
definition: relates something, such as source material or a hybrid specification, to an identifier for a maternal organism
note: The identifier of the maternal species constituting the hybrid organism should be specified based on a controlled vocabulary. For plants, the parents aren't always known, and it is unlikely that it will be known which is maternal and which is paternal.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
synonym: HYBRID_SPECIES_MATERNAL_ORGANISM_ID: ST

has maternal parent organism named
type: ObjectProperty
sub property of: has parent substance named
definition: relates something, such as source material or a hybrid specification, to a name of a maternal organism
note: The name of the maternal species constituting the hybrid organism should be specified. For plants, the parents aren't always known, and it is unlikely that it will be known which is maternal and which is paternal.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
synonym: HYBRID_SPECIES_MATERNAL_ORGANISM_NAME: ST

has modification
type: ObjectProperty
sub property of: isRelatedTo
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
domain: Class
  union of: physical substance
  union of: substance
range: Class
  union of: modification
  union of: modification method
definition: relates a substance (or physical substance) that has undergone a modification to the corresponding modification method (or prior modification)

has modification agent
type: ObjectProperty
sub property of: isRelatedTo
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
domain: Class
  union of: modification
  union of: modification method
range: modification agent
definition: relates a modification (or method) to an agent involved in that modification

has modification moiety
type: ObjectProperty
sub property of: isRelatedTo
domain: structural modification method
range: moiety
definition: relates a structural modification of a substance to the moiety that is applied in the modification

has modification residue site
type: DatatypeProperty
sub property of: hasTextValue
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.3
domain: Class
  union of: modification
  union of: modification method
range: string
definition: describes the position of specific residue undergone to modifications
example: 1_20; Protein unit 1, amino acid at position 20; C-Terminal removal
has business rules: In case of N-Terminal modification and C-Terminal modification of a Protein subunit, modification is mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST

has modification role
type: ObjectProperty
sub property of: hasRole
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.5.2
domain: Class
  union of: modification
  union of: modification method
range: modification role
definition: relates a modification (or method) to the function of the modification
example: antigen, linker, conjugate, inactivation, antigen priming, end-cap polymerization, sizing of Polysaccharide into Oligosaccharides, inactivation of antigen to reduce allergenicity
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
explanatory note: For proteins, agent (a chemical that results in non-specific modifications of a protein) or moiety (a specific moiety added to a protein molecule) are used to describe the function of the modification.

has modification type
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.1
range: modification method type
definition: relates a modification to its type
has business rules: In case of N-Terminal modification and C-Terminal modification of a protein subunit, modification is mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

has modified molecular fragment
type: ObjectProperty
sub property of: isRelatedTo
domain: structural modification method
range: molecular fragment
definition: relates a structural modification of a substance to the molecular fragments that are modified

has moiety
type: ObjectProperty
property chain axiom: isSpecifiedIn
property chain axiom: has moiety role
property chain axiom: isPlayedBy
definition: relates a substance directly to a moiety that defines it via a substance composition

has moiety role
type: ObjectProperty
sub property of: hasRole
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
domain: substance composition
range: moiety role
definition: relates a substance constituency to a role played by a moiety

has molecular formula
type: ObjectProperty
sub property of: hasExpression
domain: physical substance
range: molecular formula
definition: relates an actual single substance to a formal specification of its molecular formula
note: Molecular formula is written as a sequence of pairs of atom symbol and stoichiometric number (see example below). This formal notation is essentially a code system. Specified according to the Hill system, i.e. first C, then H, then alphabetical.
note: The messaging requirements can dictate a specific electronic format for the molecular formula and the molecular formula by moiety.
has business rules: Can be implicitly derived from the structure; Validity check for identity and structural representation. Molecular formula is not mandatory in the case of a large protein (e.g. more than 10k Da), a large nucleic acid or a large polymer. For small molecules up to molecular weight of 5 000 the unit should be g/mol; above that the Da/kDa is to be used.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.3

has molecular formula by moiety
type: ObjectProperty
sub property of: hasExpression
domain: physical substance
range: molecular formula by moiety
definition: relates an actual single substance to a formal specification of its molecular formula, where that substance has two or more moieties, specified such that the molecular formula of each moiety shall be described separated by a dot
note: In non-cyclic linear structures like sodium nitroprusside: Na2[Fe(CN)5(NO)].2H2O, a non-cyclic structure is constructed in the following order: a) symbol of the central atom placed on the left; b) ionic ligands with cations first then anions; c) neutral ligands.
note: The messaging requirements can dictate a specific electronic format for the molecular formula and the molecular formula by moiety.
note: The molecular formula of the chemical salt Amlodipine besilate is described as C20H25ClN2O5.C6H6O3S.
has business rules: Can be implicitly derived from the structure; Validity check for identity and structural representation. For a salt/hydrate the molecular formula of the base or the acid and the salt/hydrate part are separated by a dot per moiety, e.g. Desmopressin Monoacetate Trihydrate: Molecular formula by moiety: C46H64N14O12S2.C2H4O2.3H2O.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.4

has molecular weight
type: ObjectProperty
sub property of: hasQuantityValue
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.5, Figure 10
range: molecular weight
definition: relates a substance to its molecular weight

has molfile
type: ObjectProperty
sub property of: isDescribedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: molfile
definition: links something, such as a molecular structure, to a specification for a widely used, non-linear chemical structure file format
has conformance level: conformance level - conditional

has n-glycosylation site
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies a site of n-glycosylation, typically predicted from the amino acid sequence
example: Position 34 of this Subunit, an Asparagine; for a single subunit protein 1_34
note: The sequence NX(S/T) which indicates an asparagine followed any amino acid other than proline and then followed by either a serine or threonine will typically be a site of N-glycosylation; N-glycosylation is to be listed according to the protein sequence.
has conformance level: conformance level - conditional
has values allowed: The position of that subunit shall actually contain an amino acid that can have N-linked glycosylation.
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 20
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.8

has N-terminal modification
type: ObjectProperty
sub property of: has modification
range: Class
  union of: modification
  union of: modification method
definition: relates a protein subunit to the modification made at the n-terminal of the protein
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26

has N-terminal modification identifier
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: substance code
  union of: substance identifier
definition: relates a protein subunit to an identifier for the molecular fragment modified at the n-terminal of the protein based on the ISO 11238 Substance ID
example: UNII code; SZB8301W42 (UNII)
has conformance level: conformance level - conditional
has values allowed: If an N-terminal modification exists, this element becomes mandatory. The preferred name as specified in ISO 11238 is the default value. The value is implicit and derived based on the N_Terminal Modification ID.
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4

has N-terminal modification name
type: ObjectProperty
sub property of: has related substance name
range: substance name
definition: relates a protein subunit to the name of the molecular fragment modified at the n-terminal of the protein
example: Pyroglutamic acid (pE), 3-Mercaptopropionic acid
has business rules: If an N-terminal modification exists, this element becomes mandatory. The preferred name as specified in ISO 11238 is the default value. The value is implicit and derived based on the N_Terminal Modification ID.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 substance names
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4
synonym: has N-terminal modification

has neutron number
type: DatatypeProperty
sub property of: hasIntegerValue
source: IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
source: Quantities, Units, and Symbols in Physical Chemistry, IUPAC Green Book, 2nd ed., p. 20
range: nonNegativeInteger
definition: number of neutrons in an atomic nucleus
symbol: N

has non-numeric value
type: DatatypeProperty
sub property of: hasTextValue
definition: has an amount expressed as non-numeric value

has nucleotide sequence
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies the actual nucleotide sequence notation from 5' to 3' end using standard single letter codes
example: GATTCA
note: In addition to the base sequence, sugar and type of phosphate or non-phosphate linkage should also be captured.
has conformance level: conformance level - mandatory
has values allowed: Sequence of the letters G, C, T, A, and U
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has nuclide name
type: ObjectProperty
sub property of: hasName
domain: Class
  union of: isotope
  union of: physical substance
range: nuclide name
definition: links a name or company code to the isotope it denotes

has number of moieties
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.4
domain: physical substance
range: integer
definition: indicates the number of moieties that define a substance that contains complete chemical structures and definite stoichiometric ratios among moieties
note: The number of moieties specified should be provided. Non-stoichiometric chemical substances shall have at least two moieties. Each moiety shall be represented by a chemical structure.
has business rules: The numeric value shall be always greater than or equal to 2; The value is automatically calculated (Implicit) based on the number of Moieties; if the numeric value is equal to 1, the class Moiety shall not be used.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-INT

has number of monomers
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
range: integer
definition: indicates the number of diverse monomers used to synthesize the polymer
example: 2
has business rules: This number can be implicitly derived from the number of polymer starting materials.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has number of parameters
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
range: integer
definition: indicates the number of arguments a given function takes or that are relevant conditions of some physical state of affairs
example: For thermal denaturation two parameters, temperature and time, are typically captured.
has business rules: This number can be counted and is never explicitly represented. This value is calculated implicitly.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10 and Figure 20
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3 and Figure 15

has number of structural repeat units
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
range: integer
definition: indicates the number of diverse structural repeated units represented in the structure of the polymer
example: Homopolymers will only have 1 Structural Repeat Unit; copolymers will typically have more than 1.
has business rules: Implicitly derived
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has number of subunits
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
domain: Class
  union of: nucleic acid substance
  union of: protein substance
range: integer
definition: indicates the number of linear sequences of nucleotides linked through phosphodiester bonds or amino acids linked through peptide bonds
example: 1, 2, or 3
note: For nucleic acids, if not specified in the reference source, the assumption is that there is 1 subunit. Subunits would be strands of nucleic acids that are tightly associated typically through Watson-Crick base pairing.
note: For proteins, although many proteins form multimeric complexes, particularly at high concentrations, subunits are typically either connected through disulfide linkages or other covalent linkages or have strong non-covalent interactions with defined stoichiometry largely independent of concentration. It is possible that the number of subunits can be variable.
has business rules: This number is implicit and derived from number of nucleic acid or protein subunits.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2 and 7.3, and Figures 26 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.4 and 7.5

has o-glycosylation site
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies a site of o-glycosylation (serine, threonine, tyrosine, hydroxylysine, hydroxyproline)
example: Position 34 of this Subunit, a Serine.
note: The sites of O-glycosylation cannot typically be predicted from the sequence alone and are discovered through analytical methods. Sites may become identified at later stages in clinical development. The Substance ID typically should not change as new sites are identified but the version of the substance would.
has conformance level: conformance level - conditional
has values allowed: The position of that subunit shall actually contain an amino acid with an OH group (i.e. serine or threonine or tyrosine).
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 20
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.8

has official name status change date
type: DatatypeProperty
sub property of: hasDateValue
domain: official name
range: string
definition: indicates the date of official name change if known
example: 20110601
note: The change date of the status of the official name shall be specified according to the ISO 8601 date format (the variant without any delimiters).
has business rules: If official name status changes the date of the official change should be captured if known.
is encoded as: DatatypeCode-TS
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.6.3

has optical activity
type: ObjectProperty
sub property of: isClassifiedBy
domain: Class
  union of: moiety
  union of: physical substance
  union of: substance
range: optical activity
definition: relates an actual single substance to a formal specification of the ability of that substance to rotate the plane of vibration of polarized light to the right or left
example: (+/-), (+), (-), None, N/A, Unknown
note: The extent of optical rotation is not mandatory at the substance level.
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.3, Figure 14
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.2

has parameter
type: ObjectProperty
sub property of: specifies
range: parameter
definition: assigns a parameter to something

has parent nuclide
type: ObjectProperty
sub property of: isRelatedTo
domain: nuclide
range: radionuclide
definition: indicates a radionuclide from which the nuclide was created through radioactive decay
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, chapter B.9

has parent substance
type: ObjectProperty
sub property of: has related substance
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
domain: substance
range: substance
inverse of: is parent substance of
definition: relates a substance to its parent substance

has parent substance identified by
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: organism identifier
  union of: substance code
  union of: substance identifier
definition: relates something, such as source material, to an identifier for a parent substance
example: The substance ID of Ginkgo biloba L., Leaf
note: The Parent substance ID of the herbal drug Ginkgo biloba, Leaf is the substance ID of the substance (fresh) of Ginkgo biloba L. or Ginkgo biloba L. (Whole plant).
has business rules: For herbal drugs, herbal preparations and vaccines this element shall be mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.6, Figure 19
synonym: PARENT_SUBSTANCE_ID: II

has parent substance named
type: ObjectProperty
sub property of: has related substance name
range: Class
  union of: organism name
  union of: substance name
definition: relates something, such as source material, to a name for a parent substance
example: The parent substance of the Herbal Drug Ginkgo biloba, Leaf is the substance (fresh): Ginkgo biloba L., or Ginkgo biloba L. (Whole plant). The parent substance of Influenza A virus A/Christchurch/16/2010 (H1N1), NIB-74xp is Influenza A virus A/Christchurch/16/2010 (H1N1).
has business rules: For herbal drugs, herbal preparations and vaccines this element shall be mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.7, Figure 19
explanatory note: The parent substance of an herbal drug or preparation may be an organism rather than a 'substance' in the IDMP sense, in which case the range of this property should be the organism name rather than substance name. There may be cases, however, where the organism and substance are the same thing.
synonym: PARENT_SUBSTANCE_NAME: ST

has paternal parent organism identified by
type: ObjectProperty
sub property of: has parent substance identified by
definition: relates something, such as source material or a hybrid specification, to an identifier for a paternal organism
note: The identifier of the paternal species constituting the hybrid organism should be specified based on a controlled vocabulary. For plants, the parents aren't always known, and it is unlikely that it will be known which is maternal and which is paternal.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
synonym: HYBRID_SPECIES_PATERNAL_ORGANISM_ID: ST

has paternal parent organism named
type: ObjectProperty
sub property of: has parent substance named
definition: relates something, such as source material or a hybrid specification, to a name of a paternal organism
note: The name of the paternal species constituting the hybrid organism should be specified. For plants, the parents aren't always known, and it is unlikely that it will be known which is maternal and which is paternal.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.13, Figure 19
synonym: HYBRID_SPECIES_PATERNAL_ORGANISM_NAME: ST

has physical modification role
type: DatatypeProperty
sub property of: hasTextValue
domain: physical modification method
definition: describes the role of the physical modification
example: Micronization of animal part

has property parameters
type: DatatypeProperty
sub property of: hasDescription
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
domain: property of substance
range: string
definition: indicates a description of the parameters that were used in the measurement of a property
example: For Viscosity, solvent concentration and temperature should be captured as a single entity.; Measured at pH range of 2,5 to 10,5; Measured at 20 °C and a pH of 7,1
note: Parameters are not elements that will typically be searchable, but standard formats for given property measurements may be defined.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11

has property substance identifier
type: ObjectProperty
sub property of: specifies
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
domain: property of substance
range: Class
  union of: substance code
  union of: substance identifier
definition: indicates the substance identifier of a substance upon which a defining property depends
example: Solubility in Water, the Substance ID for Water shall be specified.
note: The identifier of the substance related to a defining property shall be described where applicable.
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11

has property substance name
type: ObjectProperty
sub property of: specifies
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, figures 19-24
domain: property of substance
range: substance name
definition: indicates the name used to identify a substance related to a defining property
example: cell surface antigens (the Substance ID for CD4 would be captured to defined CD4 positive cells)
has business rules: The preferred term will be the default value implicitly derived from the Substance ID ().
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.11

has protein sequence
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: specifies the order and identity of amino acids within a protein or peptide
note: Protein sequences will be represented by single letter Dayhoff codes and listed from the N-terminal to the C-terminal.
note: The sequence information shall be provided enumerating the amino acids from N- to C-terminal end using standard single-letter amino acid codes. Uppercase shall be used for L-amino acids and lowercase for D-amino acids. Transcribed proteins will always be described using the translated sequence; for synthetic peptide containing amino acids that are not represented with a single letter code an X should be used within the sequence. The modified amino acids will be distinguished by their position in the sequence.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.6 and Figure 26
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 3.67 and 7.4
synonym: protein sequence

has reference information
type: ObjectProperty
sub property of: isDescribedBy
domain: Class
  union of: moiety
  union of: physical substance
  union of: substance
range: reference information
inverse of: is reference information for
definition: specifies informative reference details that may include classification, additional relationships and target information (for active substances)
note: Genes from which proteins are derived, target information and codes from code systems also constitute reference information for which the ISO 11238 specification provides a consistent structure to capture and link to a substance. Classification systems such as the WHO ATC and the United States Veterans Administration NDF-RT, which code classification information for substances, are particularly important. Target information is important for monoclonal and polyclonal antibodies and small molecules directed against specific molecular targets.
note: Reference information shall be captured for all types of substances and specified substance group 1.
note: The ISO 11238 standard does not provide any guidance on the classification of pharmacological effects or the determination of the putative targets for any substance or specified substance. It does allow for the capture of such information if available and provided. This information shall not affect the generation of a new unique identifier, i.e. it is not defining.
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

has reference quantity value range
type: ObjectProperty
sub property of: hasQuantityValueRange
definition: relates something (an expression, formula, a quantity value range etc.) to a magnitude expressed as range of numbers together with their unit(s) of measure (if applicable) as reference

has reference source document type
type: ObjectProperty
sub property of: isClassifiedBy
domain: reference source document
range: reference source document type
definition: indicates the type of document
example: Pharmacopoeial monograph, Regulatory submission, Journal article, Release specification, In-house specification, Text file
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.7.3

has reference source type
type: ObjectProperty
sub property of: isClassifiedBy
domain: reference source
range: reference source type
definition: indicates the type of source in which the data elements were actually found
example: BP, ChemID (NLM), Ph.Eur., USP/NF, IND (Investigational New Drug), Recommended INN List, ITIS, JAN, Journal, JP, KEGG, Martindale, NDA, Personal Care Products Council (PCPC), PubChem, USAN, USP, Web Page, CAS Registry, FDA Global Substance Registration System (FDA GSRS), WHO Collaborating Centre for Drug Statistics Methodology (WHOCC), Chemical Book, Orange Book, Marketing Authorization Application (MAA), WHO/IUIS Allergen Nomenclature, UniProt, Plasma Master File, Homeopathic Pharmacopoeia
note: All reference sources shall be associated with a type. The type shall actually identify the source of the information if it is a public database or naming authority. For official names and defining information, the primary source should be used if available. A single source can be used for many data elements. Public databases particularly those of official naming bodies, regulatory submissions, manufacturer's technical specifications, scientific journal articles and pharmacopoeias are all sources that can be used.
has business rules: All names should have at least one source and hence source type. When the Reference Source Type is a Pharmacopoeial monograph, no reference has to be made to the version. The reference made (for example to Ph.Eur., USP, or JP) shall comply with the latest (current) and valid edition.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.2

has reference source URL
type: DatatypeProperty
sub property of: hasURI
domain: reference source
range: anyURI
definition: indicates a URL in which the citation was found
example: http://www.who.int/medicines/publications/druginformation/issues/RL_66.pdf
note: In case the Reference source citation is a Web Page or Public Database, the URL should be provided.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 13, 14, 16-23, 25-26, 28-29, and 31-32
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.6

has related substance
type: ObjectProperty
sub property of: isRelatedTo
range: Class
  union of: moiety
  union of: matter
  union of: organism
  union of: substance
definition: relates something, such as a substance relationship, to the specification for a substance, moiety, or organism, or to the corresponding matter, including a molecular entity or physical organism or substance that is the target of the relationship
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

has related substance identifier
type: ObjectProperty
property chain axiom: has related substance
property chain axiom: isIdentifiedBy
definition: relates something, such as an organism or substance relationship, to an identifier for that substance, moiety, organism, or corresponding matter
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6, 6.6.3.1 and Figure 8

has related substance name
type: ObjectProperty
property chain axiom: has related substance
property chain axiom: has substance name
definition: relates something, such as an organism or substance relationship, to a preferred term or primary name for that substance, moiety, organism or the corresponding matter
has business rules: The preferred term of the related substance is captured; this information is required when there is a 'Substance Relationship'; The substance name is implicit and derived from the Substance ID.
has conformance level: conformance level - conditional
has values allowed: Based on ISO 11238 substance name
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6, 6.6.3.2 and Figure 8

has rendering
type: DatatypeProperty
sub property of: has structural representation attachment
range: anyURI
definition: has a drawing perspective of a structure

has residue modified
type: ObjectProperty
sub property of: isCharacterizedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10.2
domain: Class
  union of: modification
  union of: modification method
range: residue modified
definition: describes the residue(s) in a substance that are modified by the modification
example: Lysine; non-specific modifications; Reducing end of Oligosaccharide; ε-amino, α-amino, guanidinyl, secondary amino, and hydroxyl groups (in decreasing order of reactivity) of amino acids residues of proteins.
example: random
has business rules: In case of N-Terminal modification and C-Terminal modification of a protein subunit, modification is mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
explanatory note: It may be known that lysine residues are modified but the particular lysine in the sequence may not be known. It should be captured for both specific and non-specific modifications, e.g. sizing carbohydrate polymers by hydrolysis.

has residue site
type: DatatypeProperty
sub property of: hasTextValue
range: string
definition: describes the residues that contain a given sugar entity
example: 1_1-1_20 would indicate that residues 1-20 of a given strand contain a particular sugar.
note: The residues that contain a given sugar shall be captured. The order of given residues will be captured in the 5'-3' direction consistent with the base sequences.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has SMILES
type: ObjectProperty
sub property of: isDescribedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: SMILES
definition: links something, such as a molecular structure, to a specification for an unambiguous linear representation of chemical or molecular structures using ASCII characters
has conformance level: conformance level - conditional
synonym: has simplified molecular input line entry specification

has SMILES value
type: DatatypeProperty
sub property of: has structural representation text
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: string
definition: provides a textual specification for an unambiguous linear representation of chemical or molecular structures using ASCII characters
note: It is predominantly used by Daylight Chemical Information Systems Inc., although an open source version has been recently developed. Canonical smiles is a SMILES string that is unique for each structure and can be used to ensure that duplicate structures are not entered into a database.
note: Other linear representation forms for chemical structures include SYBYL line notation (SLN) and the older Wiswesser Line Notation, which was the first line notation for the representation of chemical structures. These other formats are not currently in wide use.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
synonym: has simplified molecular input line entry specification value

has sequence attachment
type: ObjectProperty
sub property of: isDescribedBy
range: Reference
definition: provides an 'enriched' string, a document or image representing the sequence
has business rules: The element Sequence is always mandatory; the element Sequence Attachment may be provided based on jurisdictional guidance. Either the sequence is provided as ST or/and as an attachment as ED.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ED
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2 and 7.3 and Figures 26 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.4 and 7.5

has sequence length
type: DatatypeProperty
sub property of: hasIntegerValue
domain: Class
  union of: nucleic acid subunit
  union of: protein subunit
range: integer
definition: indicates the length of a particular linear sequence
example: 5
has business rules: The sequence length is implicitly derived by the sequence description or from the linear sequences of amino acids contained in the subunit.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2 and 7.3 and Figures 26 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.4 and 7.5

has specified identifier
type: ObjectProperty
property chain axiom: isSpecifiedIn
property chain axiom: isIdentifiedBy
definition: relates something, such as material or a physical substance, to an identifier or code for the specification for that material or substance

has starting material identifier
type: ObjectProperty
sub property of: isIdentifiedBy
range: Class
  union of: substance code
  union of: substance identifier
definition: relates a polymer starting material (monomer) to the unique identifier assigned to the monomer
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has starting material name
type: ObjectProperty
sub property of: has substance name
range: substance name
definition: relates a polymer starting material (monomer) to its substance name
example: Ethylene Oxide; .BETA.-D-Glucopyranose; Propylene Oxide; .BETA.-L-Iduronic acid, Pyranose form; Deoxyguanosine 5’-Monophosphate; 5-N-acetyl-α-D-Neuraminic acid; Alpha.-D-Galactose
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 Substance Name
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has stereochemistry
type: ObjectProperty
sub property of: has structure
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.2 Figure 14
range: stereochemistry
definition: is classified by the relative spatial arrangement of atoms within molecules
has business rules: When the substance type, as defined in is either chemical or polymer, this class is MANDATORY; for all other cases this class is CONDITIONAL.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

has structural modification type
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.3
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.10
range: structural modification type
definition: classifies by the type of structural modification

has structural repeat unit description
type: DatatypeProperty
sub property of: hasDescription
domain: structural repeat unit
range: string
definition: provides a description of the structural repeat unit
has business rules: End-groups if defined can be attached to the Structural Repeat Unit. The Structural Repeat Unit shall be the largest repeating structural fragment.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

has structural representation attachment
type: DatatypeProperty
sub property of: hasReferenceURL
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: anyURI
definition: provides an attached file for complex data formats, e.g. CDX, MOLFILE
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ED

has structural representation text
type: DatatypeProperty
sub property of: hasTextValue
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 14, clause 7.2.1, clause A.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.7.6 and Figure 10
range: string
definition: provides a textual specification for a structural representation
example: InChI, Molfile, SMILES, CDX, HELM
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST

has structure
type: ObjectProperty
sub property of: hasArrangement
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2 Figure 10
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2 Figure 3
definition: indicates any arrangement and/or organization of interrelated elements in an actual substance

has subject substance
type: ObjectProperty
inverse of: is subject substance for
property chain axiom: isIncludedIn
property chain axiom: is reference information for
definition: relates a substance relationship to the substance, moiety, or physical substance that the relevant reference information is about
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

has substance classification subtype
type: ObjectProperty
sub property of: isClassifiedBy
domain: substance classifier
range: substance classification subtype
definition: links a substance classifier to an element indicating a subordinate level of the classification scheme
example: NDF-RT Mechanism of Action (MOA) or Physiological Effect
note: Many classification systems will have multiple subtypes of classification. This field will attempt to capture this information.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2.5

has substance classification type
type: ObjectProperty
sub property of: isClassifiedBy
domain: substance classifier
range: substance classification type
definition: links a substance classifier to an element indicating the highest level of the classification scheme
example: 'lower' level in ATC
note: Nearly all classification systems contain multiple levels. Type is the highest level or the initial level of the classification system.
has business rules: The value is IMPLICIT and can be derived by the 'Substance Classification — Subtype' if available. Jurisdictional requirements should further define the appropriate level within a code system that should be used.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2.4

has substance classifier domain
type: ObjectProperty
sub property of: isClassifiedBy
domain: substance classifier
range: substance classifier domain
definition: links a substance classifier to a classifier and code that specifies the domain associated with the substance classifier
example: Human pharmaceutical, human vaccine, animal drug, animal vaccine, food, food additive, colourant, pesticide, tobacco additive, flavour, excipient
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16, clause 7.2.4.2
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.2.1

has substance name
type: ObjectProperty
sub property of: hasName
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3, Annex L
range: substance name
definition: links a name or company code to the substance it denotes
example: Amoxicillin; Harpagophytum procumbens (Burch.) DC. ex Meisn., Root
note: The name or company code associated with the Substance shall be specified. For substances originated from Plants the Substance is always a single species, or intraspecies, or is occasionally a single genus. It will have a Name which is composed of: [Scientific genus/binomial/trinomial with Author] [Part(s)]. The scientific element of the name is usually a binomial, but may be a trinomial or a genus, as appropriate, together with the author of the name. The Name is not an official name in any pharmacopoeia or other legislation, and the inclusion of the author is to ensure that it is not confused with the official names for specified substances that are derived from a single species substance. It can be written in any language and its jurisdiction can be restricted using Official Name Status.
has business rules: Mandatory all substances shall have at least one name or company code (also considered to be a Substance Name) associated with the substance.
has conformance level: conformance level - mandatory
has values allowed: Free text, multiple names allowed, each in its own element.
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
explanatory note: Note that while the IDMP standards require a substance name for all substances, the ontology deviates from this by making the name optional in the restriction on substance. This is to enable mapping to various source repositories for substance information that do not necessarily provide names but that define a substance based on its molecular structure, which is typically more accurate.

has substance name domain
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.4
domain: substance name
range: substance name domain
definition: links a substance name to a classifier that specifies when and for what purpose the name is to be used
example: Biologic, cosmetic, drug, food, medicine, dietary supplement, homeopathic, mineral, zoological, allergen, botanical, vegetable oil, bacterial
example: The terms DRUG and BIOLOGIC could be used in Japan and the US as official name domain. In the EU the term MEDICINE may cover the name of many substances that would be either DRUG or BIOLOGIC in the US and Japan.
note: All substance names can have at least one domain. This is useful to differentiate different names for the same substance as used for a drug active ingredient as opposed to a food colour additive. The domain and the actual name of a domain will vary according to jurisdiction.
has business rules: Used if different names exist that are not appropriate to be used across all domains.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD

has substance name type
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.2
domain: substance name
range: substance name classifier
definition: links a substance name to the classifier for that name
note: Every substance name shall have one name type. When a Substance has the Substance Name Type e.g. Other Name, but also an official name exists, which will be used then the Substance Name element group should be repeated with the Name referring to the Official Name and the Substance Name Type should be 'Official', see Table B.1. Official names are typically nonproprietary names used in a given jurisdiction and domain to refer to a specific substance. The domain, jurisdiction, and authority that assigned the name (USAN, INN, JAN etc.) and the language of the name are also captured.
note: Systematic names will typically be used for simple chemicals and structurally diverse materials where the definitions are based on a chemical structure or systematic taxonomic information. For chemicals, these names are typically derived from IUPAC or CAS systems of nomenclature. From the systematic names of chemicals, a molecular structure can typically be derived and the name can be checked by a number of chemical drawing programmes that convert a given name to a molecular structure. Brand names are names by which a company identifies a given substance typically for marketing purposes. Other names associated with a given substance are for instance common names. Company codes (also known as lab/laboratory codes or clinical trial codes) are also treated as names. They are assigned by a given company to substances in clinical or preclinical development.
has business rules: A Substance Name shall always correspond to at least one and only one Substance Name Type. The Preferred Name is the name that describes at least all moieties of a substance and shall be used in all EU languages, e.g. Benzathine Benzylpenicillin tetrahydrate (Dutch: Benzathinebenzylpenicillinetetrahydraat). For the Substance (fresh) (e.g. Harpagophytum procumbens (Burch.) DC. ex Meisn., Root) the Substance Name Type shall be 'Other'. Specified Substance Group 1, 2 and 3 name types are used to guide the user with regards to which level the substance name belongs to e.g. water for injection – Ph.Eur. is a name having the substance name type: Specified Substance Group 3.
has conformance level: conformance level - mandatory
has values allowed: Official Name, Systematic Name, Scientific Name, Company Code, Other Name, Brand Name, Herbal Name, Homeopathic Name, Specified Homeopathic Name, Plasma-Derived Name, Preferred Name, Specified Substance Group 1 Name, Specified Substance Group 2 Name, Specified Substance Group 3 Name, Display Name, Common Name
is encoded as: DatatypeCode-CD

has substance name value
type: DatatypeProperty
sub property of: hasTextualName
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
definition: name or company code associated with the substance
example: Amoxicillin; Harpagophytum procumbens (Burch.) DC. ex Meisn., Root
example: Polyethylene glycol is a name for a family of polymers, so it would not be an acceptable name for an individual substance. Polyethylene Glycol 1000 is an official name in the US for a polyethylene glycol polymer with an average molecular weight of 1000. In the European Union, the INN Macrogol 1000 would be an official name for the same substance. In the personal care products domain PEG-20 is the official name for the same substance and 20 refers to the average degree of polymerization.
note: For substances originated from Plants the Substance is always a single species, or intraspecies, or is occasionally a single genus. It will have a Name which is composed of: [Scientific genus/binomial/trinomial with Author] [Part(s)]. The scientific element of the name is usually a binomial, but may be a trinomial or a genus, as appropriate, together with the author of the name. The Name is not an official name in any pharmacopoeia or other legislation, and the inclusion of the author is to ensure that it is not confused with the official names for specified substances that are derived from a single species substance. It can be written in any language and its jurisdiction can be restricted using Official Name Status.
has business rules: Mandatory all substances shall have at least one name or company code (also considered to be a Substance Name) associated with the substance.
has conformance level: conformance level - mandatory
has values allowed: Free text, multiple names allowed, each in its own element.
is encoded as: DatatypeCode-ST

has substance type
type: ObjectProperty
sub property of: isClassifiedBy
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.2.1, Figure 5 and Table 2
domain: substance
range: substance type classifier
definition: links a substance to a classifier that describes the nature of the substance as described in and in accordance with ISO 11238 definitions
has business rules: For each substance type, a qualification is possible, e.g. Structuraly Diverse (Plasma-derived), Structurally Diverse (Herbal Substance), Structurally Diverse (Herbal Drug), Structurally Diverse (Allergen Substance), Polymer (Biopolymer), Protein (Recombinant), Protein (Naturally-derived), Protein (Allergen, Naturally-derived), Chemical (Mineral, naturally occurring substance), Mixture (Homologous Group of Allergen Source Material), etc. In these cases, the qualifier shall also be captured at the Substance Name Type attribute described in and shall always coupled with the substance name. Example: Substance Type: Structurally Diverse Substance Name Type: Plasma-derived Substance Name: Human Albumin, Plasma-derived (see also ) In all these cases, a new ID shall be issued, that is, 'Human Albumin, Plasma-derived' shall have a distinct identifier from 'Human Albumin, Recombinant'.
has conformance level: conformance level - mandatory
has values allowed: Chemical, Protein, Nucleic Acid, Polymer, Structurally Diverse, Mixture, Specified Substance Group 1, Specified Substance Group 2, Specified Substance Group 3, Specified Substance Group 4
is encoded as: DatatypeCode-CD

has subunit index
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasIntegerValue
domain: Class
  union of: nucleic acid subunit
  union of: protein subunit
range: integer
definition: indicates the index (ordering) of a particular linear sequence
example: 1, 2, 3 (..)
note: Sequences are ordered by decreasing length. Sequences of the same length will be ordered by molecular weight. Subunits that have identical sequences will be repeated and have sequential subscripts.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-INT
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2 and 7.3 and Figures 26 and 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.4 and 7.5

has sugar identifier
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: substance code
  union of: substance identifier
definition: indicates the unique substance identifier for the sugar or sugar-like component that makes up the nucleotide
example: UNII code for ribose
note: For naturally occurring nucleic acids the sugar is typically either .beta.-D-ribose or .beta.-D-deoxyribose. The actual configuration of the sugar shall be captured.
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has sugar name
type: ObjectProperty
sub property of: has related substance name
range: substance name
definition: indicates the name of the sugar or sugar-like component that makes up the nucleotide
example: Ribose, deoxyribose, 2,5-dihydroxy-morphilino
has business rules: This is implicit and derived from the Sugar ID. The preferred name is the default value.
has conformance level: conformance level - mandatory
has values allowed: ISO 11238 Substance Name
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has target identifier
type: ObjectProperty
sub property of: isIdentifiedBy
range: Class
  union of: substance code
  union of: substance identifier
definition: indicates the identifier for the target relation molecular entity upon which the substance acts
note: One Target ID should be specified. The target should be a molecular entity or a family of molecular entities. The target is usually a protein entity that the drug actually interacts with. Both therapeutic and metabolic targets and targets associated with toxicity should be captured.
has business rules: The ISO 11238 Substance ID shall be referenced.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6, 6.6.4.1 and Figure 8

has target name
type: ObjectProperty
sub property of: has substance name
range: substance name
definition: specifies the name of the target molecular entity upon which the substance acts
note: At least one name of the target shall be provided when target information is submitted. Target names will not be handled any differently than other substance names. If an active ingredient targets more than one target each target should be listed. In addition to names a list of codes associated with the target may also be used. GenBank and UniProt codes can be particularly useful for identifying and tracking targets.
has business rules: ISO 11238 substance name implicitly derived from Target ID. A variety of names can be captured. A single name will be a preferred name and associated with the Target ID. At least one name of the target should be provided when target information is submitted.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 substance name
is encoded as: DatatypeCode-ST
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6, 6.6.4.2 and Figure 8

has target organism
type: ObjectProperty
sub property of: specifies
range: organism
definition: relates something, such as a target, to the organism for which the active substance is targeted
example: Homo Sapiens, M. TB, HIV-1
has business rules: At least one organism type should be associated.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.6 and Figure 8
synonym: TARGET_ORGANISM: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

has target organism type
type: ObjectProperty
sub property of: isClassifiedBy
range: Class
  union of: taxon
  union of: source material type
definition: relates something, such as a target, to a classifier for the organism for which the active substance is targeted
example: human, viral, bacterial, fungal, insect, helminth, malarial
note: Every organism should have a type that is maintained within this terminology. The organism type may also be used independent of the organism particularly for substances such as antibacterial which may be targeted against a wide range of organisms.
has business rules: At least one organism type should be associated.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.6 and Figure 8
explanatory note: Note that the target organism type -may- be a taxon but more likely will be source material type based on discussion with the FDA on 2024-03-04. This is not clear in the ISO 19844 implementation guide and may be addressed in a future revision. Also, the diagrams in ISO 11238 and ISO/TS 19844 show a multiplicity of [0..1], but that does not agree with the note stating that at least one organism type should be associated.
synonym: TARGET_ORGANISM_TYPE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

has target type
type: ObjectProperty
sub property of: isClassifiedBy
domain: target
range: target classifier
definition: links a target to a classifier associated with that target of an active substance
example: The therapeutic target would be HIV-1 protease when ritonavir is used in HIV-related therapy. The metabolic target is Cyp 3A4 and ritonavir is an inhibitor of this target. Ritonavir is also an inhibitor of P-glycoprotein, a drug transporter. In many combination products ritonavir is used strictly to inhibit Cyp 3A4/5 and transporter enzymes.
example: therapeutic, metabolic, toxic, transporter
note: The type is dependent on the substance and also to some extent the use of the substance. A given target-substance interaction can be of more than one type.
has business rules: Each target should be associated with a target type when the target can be classified.
has conformance level: conformance level - optional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.4.6 and Figure 8

has three prime substance identifier
type: ObjectProperty
sub property of: has related substance identifier
range: Class
  union of: substance code
  union of: substance identifier
definition: relates a nucleic acid subunit to the unique identifier of the three prime
example: JKUHT76541 (Artificial ID)
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance ID
is encoded as: DatatypeCode-II
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has three prime substance name
type: ObjectProperty
sub property of: has related substance name
range: substance name
definition: relates a nucleic acid subunit to the nucleotide present at the 3' terminal
example: Thymine (T)
note: The nucleotide present at the 3’ terminal should be specified based on a controlled vocabulary. Since the sequence is represented from the 5' to the 3' end, the 5’ prime nucleotide is the letter at the last position in the sequence. A separate representation would be redundant.
has business rules: NOTE If not specified in the available reference source this value is derived from the nucleic acid sequence.
has conformance level: conformance level - conditional
has values allowed: ISO 11238 Substance Name
is encoded as: DatatypeCode-ST
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

has values allowed
type: AnnotationProperty
definition: describes the nature of valid values for a given class or element in cases where that information is encoded as a string rather than as a value domain per the ISO 19844 guideline

identifies specification for
type: ObjectProperty
inverse of: has specified identifier
property chain axiom: identifies
property chain axiom: specifies
definition: relates an identifier for a specification of something, such as a substance, to the actual material or physical substance

interconnects
type: ObjectProperty
sub property of: isRelatedTo
inverse of: is interconnected via
definition: relates a linkage, bridge, or connecting element to something, such as a nucleic acid subunit, that it connects
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

is active moiety of
type: ObjectProperty
sub property of: is moiety of
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
range: substance
definition: relates a moiety to a substance for which it is the essential aspect, responsible for its pharmacological activity

is author of
type: ObjectProperty
sub property of: provides
sub property of: isRoleIn
domain: author
range: Class
  union of: Document
  union of: Reference
definition: specifies a reference and/or document attributed to the party
has conformance to ISO level: ConformanceToISOLevel-Extension

is defining element
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasBooleanValue
range: boolean
definition: indicates whether the attribute described is a defining element for the unique identification of the polymer
example: Yes, No
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-BL
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.4 and Figure 29
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6

is defining substance relationship
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasBooleanValue
range: boolean
definition: indicates whether the substance relationship is a defining element for the substance's pharmacodynamic action
example: For example, if an enzyme has a strong binding with Substance A, then the relationship of Substance A with the enzyme (Related Substance) is defining information.
example: Yes, No
note: There are cases that the substance relationship is a defining element for the substance's pharmacodynamic action. For example, if an enzyme has a strong binding with Substance A, then the relationship of Substance A with the enzyme (Related Substance) is defining information.
has business rules: The preferred term of the related substance is captured; this information is required when there is a 'Substance Relationship'; The substance name is implicit and derived from the Substance ID.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-BL
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6, 6.6.3.5 and Figure 8

is derived from organism fraction
type: ObjectProperty
property chain axiom: isDerivedFrom
property chain axiom: comprises
definition: relates source material to the specification for a fraction of a constituent of an individual living entity of anatomical origin of source material within an organism
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.12

is derived from organism identified by
type: ObjectProperty
domain: source material role
property chain axiom: isDerivedFrom
property chain axiom: isIdentifiedBy
definition: relates source material to a unique identifier associated with the source material parent organism
example: The substance Ginkgo biloba L. Leaf has an Organism ID belonging to the Organism Ginkgo biloba L.
note: This ID might or might not be the parent ID of the substance.
has business rules: For Herbals, this element shall be Mandatory.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-II
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.4, Figure 19
synonym: ORGANISM_ID: II

is derived from organism named
type: ObjectProperty
domain: source material role
property chain axiom: isDerivedFrom
property chain axiom: hasName
definition: relates source material to an accepted scientific name associated with the source material parent organism based on the organism taxonomy
example: Ginkgo biloba L.; Harpagophytum procumbens (Burch.) DC. ex Meisn.
has business rules: For Herbals, this element shall be Mandatory. The accepted scientific name for plants is provided by Kew Gardens' Medicinal Plant Names Services (MPNS). The names for other organisms will be provided by other authoritative sources.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-ST
has conformance to ISO level: ConformanceToISOLevel-NameAndAnnotationConformant
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figure 17
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.5, Figure 19
synonym: ORGANISM_NAME: ST

is derived from organism of stage
type: ObjectProperty
domain: source material role
property chain axiom: isDerivedFrom
property chain axiom: isClassifiedBy
definition: relates source material to the developmental stage of an animal, plant, algae, fungi, insect or micro-organism from which the source material is derived
example: foetus, infant, juvenile, adult, senescent, leafing, pre-flowering, flowering, fruiting, mature development stage, mature animal
note: This information should be provided only when the substance is significantly different in these stages (e.g. foetal bovine serum).
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-CD
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clauses 7.2.5, 8.5.5, and Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.10 and Figure 19
synonym: DEVELOPMENT_STAGE: CD
usage note: No controlled vocabulary or code list is defined in either ISO 11238 or the ISO/TS 19844 implementation guide.

is derived from organism part
type: ObjectProperty
property chain axiom: isDerivedFrom
property chain axiom: comprises
definition: relates source material to the specification for a constituent of an individual living entity of anatomical origin of source material within an organism
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, Figures 17 and 30
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.9.11

is granular molecular part of
type: ObjectProperty
sub property of: is granular part of
definition: indicates something that a granular molecular element is included in

is granular part of
type: ObjectProperty
sub property of: isIncludedIn
definition: indicates something that a granular element is included in

is ingredient of
type: ObjectProperty
sub property of: isManifestedIn
domain: ingredient
definition: relates an ingredient to a substance or product composition that it is included in

is interconnected via
type: ObjectProperty
sub property of: isRelatedTo
definition: relates something, such as a nucleic acid subunit, to something that connects it to something else
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

is moiety of
type: ObjectProperty
property chain axiom: playsRole
property chain axiom: is moiety role in
property chain axiom: defines
definition: relates a moiety directly to a substance that it defines via a substance constituency
usage note: Note that this construct works fine with respect to the HermiT reasoner, but Pellet doesn't like it.

is moiety role in
type: ObjectProperty
sub property of: isRoleIn
domain: moiety role
range: substance composition
definition: relates something in a moiety role (which may be a substance) to a constituency it is part of

is multi-substance starting material
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasBooleanValue
domain: mixture
range: boolean
definition: is an extract of a homologous group of substances as a result of the same synthetic process
note: In order to distinguish a mixture (a substance consisting of 'closely related components' as a result from the same synthetic process) from a mixture substance being an extract of a homologous group of substances as a result of the same synthetic process - which may have related (allergenic) components - the value 'Yes' shall be specified.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-BL
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.6 and Figure 34
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.8 and Figure 24

is parent substance of
type: ObjectProperty
sub property of: is related substance to
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.3.1
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
domain: substance
range: substance
definition: relates a substance to a child/derived substance
synonym: is antecedent substance of

is public
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasBooleanValue
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4.1
domain: Reference
range: boolean
definition: indicates whether a reference source is publicly available
example: Yes, No
note: Company codes will only be released if the defining information is associated with the code in a public source such as Chemical Abstracts (CAS), a journal article, or a poster at scientific meeting attributable to the company.
note: Most reference sources other than regulatory submissions will be in the public domain. All regulatory submissions will typically be considered to not be in the public domain. If the reference source is in the public domain, the data elements referenced by the source could be made public. There may be a separate determination whether any portion of the record can be made public. This determination may vary depending on type of substance. Regardless, submitters of information should always explicitly indicate whether data should be considered confidential.
has business rules: All regulatory submissions are considered not to be in the public domain. There may be an additional flag that determines whether any information can be released on a given substance.
has conformance level: conformance level - conditional
has values allowed: Yes, No
is encoded as: DatatypeCode-BL
has conformance to ISO level: ConformanceToISOLevel-DefinitionallyConformant
explanatory note: Particular care is advised in the release of company codes. Although the company codes are frequently mentioned in the public domain the release of a company code associated with a Substance ID and the defining information should only be made if all of the defining elements are associated with the company code in a single source in the public domain. For chemicals, the chemical structure should be associated with the company code in the public domain. For proteins, such as monoclonal antibodies, names or company codes could be released to the public only if the target of the antibody is mentioned in the same public source as the name or code. A separate determination will be made as to whether the protein sequence is in the public domain.

is reference information for
type: ObjectProperty
sub property of: describes
domain: reference information
range: Class
  union of: moiety
  union of: physical substance
  union of: substance
definition: links informative reference details that may include classification, additional relationships and target information (for active substances) to a substance (specification), moiety, or physical substance it describes
has conformance level: conformance level - conditional
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

is related substance to
type: ObjectProperty
sub property of: isRelatedTo
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6.3
domain: Class
  union of: moiety
  union of: matter
  union of: substance
inverse of: has related substance
definition: specifies something, possibly a target substance, moiety, or matter with which the source substance, moiety, or matter has some relationship
example: The active moiety of the salt amlodipine besilate hydrate (1:1:1) is the related substance amlodipine. The salt amlodipine besilate hydrate contains 69.8 percent w/w of amlodipine. Therefore, the equivalence factor is 0,698, meaning 10 mg amlodipine besilate hydrate salt corresponds to 6,98 (approx. to 7 mg) amlodipine active moiety. The Equivalence Factor is captured by the element group Amount in combination with the element group Substance Relationship as Amount Text.
note: Relationships between substances such as the relationship between a salt form and its active moiety or parent substance should be captured. These relationships are often essential to the description of medicinal products, the basis of strength and the classification of substances. These relationships are often obvious and rules will be developed for specifying substances involved in each type of relationship. For example, the active moiety of all sodium salts would be the free acid, conversely the active moiety of a hydrochloride salt would be a free base.
has business rules: The Equivalence Factor shall be less than or equal to 1,00. It is formed by dividing the molecular weight of the (parent) substance (active moiety)/molecular weight of the corresponding salt or salt hydrate or hydrate.
has conformance level: conformance level - conditional

is stoichiometric
type: DatatypeProperty
type: FunctionalProperty
sub property of: hasBooleanValue
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.1.3
domain: chemical substance
range: boolean
definition: is a chemical substance that contains complete chemical structures and definite stoichiometric ratios among moieties
note: Stoichiometry describes if a substance can be represented as single covalent structural moiety or a salt or solvate with a defined and constant ratio of ions or molecules and solvents. In the case of a substance consisting of one moiety (e.g. base, acid, ester) there is (per definition) one compound. In this case only one moiety shall be provided.
has conformance level: conformance level - mandatory
is encoded as: DatatypeCode-BL

is subject substance for
type: ObjectProperty
property chain axiom: has reference information
property chain axiom: comprises
definition: links a substance, moiety, or physical substance to a substance relationship that it is the subject of
adapted from: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.2.4 and Figure 16
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.6 and Figure 8

is supported by
type: ObjectProperty
sub property of: has related substance
definition: relates something, such as a nucleic acid subunit, to a substance, moiety or matter that supports it
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

supports
type: ObjectProperty
sub property of: is related substance to
inverse of: is supported by
definition: relates a substance, moiety or matter to something, such as a nucleic acid subunit, that it enables
has conformance level: conformance level - conditional
adapted from: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause and 7.3 and Figure 27
direct source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 7.5

Reference
type: Class
subclass of: Restriction
  on property: is public
  min qualified cardinality: 0
  on data range: boolean
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
note: These sources could be regulatory submissions, publications by naming authorities such as INN or USAN, pharmacopoeias, books, journals, web sites, meeting materials or public databases such as Chemical Abstracts.
synonym: reference source

ReferenceDocument
type: Class
source: ISO/TS 19844:2018(E) Health informatics - Identification of medicinal products (IDMP) - Implementation guidelines for ISO 11238 for data elements and structures for the unique identification and exchange of regulated information on substances, clause 6.4
synonym: reference source document

Specification
type: Class
source: ISO 11238:2018 Health informatics - Identification of medicinal products (IDMP) - Data elements and structures for the unique identification and exchange of regulated information on substances, clause 3.77
note: 'Conformance to specifications' means that the drug substance, when tested according to the listed analytical procedures, will meet the listed acceptance criteria. Specifications are critical quality standards that are proposed and justified by the manufacturer and approved by regulatory authorities as conditions of approval.
note: In the context of IDMP, a specification is further refined to include a list of tests, references to analytical procedures, and appropriate acceptance criteria, which are numerical limits, ranges, or other criteria for the tests described. It establishes the set of criteria to which a drug substance should conform to be considered acceptable for its intended use. This definition is narrower than the general notion of a specification, as used herein.

Good
type: Class
subclass of: matter
explanatory note: Note that the concept of 'good' as used in IDMP and by definition is a physical concept, and includes raw materials, intermediate materials, physical products, and substances of a defined amount.

hasQuantityValue
type: ObjectProperty
has business rules: A quantity value is an individual value rather than a range, and should not be used with low limit or high limit, or a non-numeric value.
has conformance level: conformance level - conditional
has values allowed: Exact or approximate quantitative value or an average value for a given element. NOTE The element 'Amount Type' is used to distinguish.
is encoded as: DatatypeCode-PQ

hasQuantityValueRange
type: ObjectProperty
has business rules: Not to be used with Quantity or Non-numeric Value. Both limits must have the same dimension and units.
has conformance level: conformance level - conditional
is encoded as: DatatypeCode-PQ
explanatory note: A quantity value range includes the lower and upper bound which can be mapped, using SPARQL, to the low limit (ISO 19844 clause 6.8.3) and high limit (ISO 19844 clause 6.8.4) and ensures consistency across both limits through common dimensions and units.

Axiom
annotated property: subClassOf
annotated source: analytical method
annotated target: Restriction
  on property: specifies
  some values from: analysis
has data support: false

Axiom
annotated property: subClassOf
annotated source: isotopic substitution classifier
annotated target: Restriction
  on property: classifies
  some values from: isotopic substitution
has data support: false

Axiom
annotated property: subClassOf
annotated source: molecular constituent
annotated target: Restriction
  on property: has granular molecular part
  some values from: molecular entity
has data support: false

Axiom
annotated property: subClassOf
annotated source: molecular constituent
annotated target: Restriction
  on property: isConstituentOf
  some values from: molecular composition
has data support: false

Axiom
annotated property: subClassOf
annotated source: molecular group
annotated target: Restriction
  on property: comprises
  some values from: atom
has data support: false

Axiom
annotated property: subClassOf
annotated source: molecule
annotated target: Restriction
  on property: comprises
  on class: atom
  min qualified cardinality: 2
has data support: false

Axiom
annotated property: subClassOf
annotated source: optical activity
annotated target: Restriction
  on property: specifies
  some values from: optical rotation
has data support: false

Axiom
annotated property: subClassOf
annotated source: radionuclide
annotated target: Restriction
  on property: undergoes
  some values from: radioactive decay
has data support: false