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Class: SMILES

A structure descriptor that denotes a molecular structure as a graph and conforms to the SMILES format specification.

URI: CHEMINF:000018

classDiagram class SMILES click SMILES href "../SMILES" QualitativeAttribute <|-- SMILES click QualitativeAttribute href "../QualitativeAttribute" SMILES : description SMILES : rdf_type SMILES --> "0..1 _recommended_" DefinedTerm : rdf_type click DefinedTerm href "../DefinedTerm" SMILES : title SMILES : type SMILES --> "0..1" DefinedTerm : type click DefinedTerm href "../DefinedTerm" SMILES : value

Inheritance

Slots

Name Cardinality and Range Description Inheritance
title 0..1
String		 This slot is described in more detail within the class in which it is used QualitativeAttribute
description 0..1
String		 This slot is described in more detail within the class in which it is used QualitativeAttribute
value 1
String		 The slot to provide the literal value of the QualitativeAttribute QualitativeAttribute
type 0..1
DefinedTerm		 This slot is described in more detail within the class in which it is used ClassifierMixin
rdf_type 0..1 recommended
DefinedTerm		 The slot to specify the ontology class that is instantiated by an entity ClassifierMixin

Usages

used by used in type used
ChemicalEntity smiles range SMILES

Identifier and Mapping Information

Schema Source

  • from schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap

Mappings

Mapping Type Mapped Value
self CHEMINF:000018
native nfdi4c:SMILES

LinkML Source

Direct

name: SMILES
description: A structure descriptor that denotes a molecular structure as a graph
  and conforms to the SMILES format specification.
from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
is_a: QualitativeAttribute
class_uri: CHEMINF:000018

Induced

name: SMILES
description: A structure descriptor that denotes a molecular structure as a graph
  and conforms to the SMILES format specification.
from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
is_a: QualitativeAttribute
attributes:
  title:
    name: title
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
    rank: 1000
    slot_uri: dcterms:title
    alias: title
    owner: SMILES
    domain_of:
    - Catalogue
    - CatalogueRecord
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - DefinedTerm
    - ResearchActivity
    - EntityOfInterest
    - ActivityOfInterest
    - Tool
    - Environment
    - Plan
    - QualitativeAttribute
    range: string
  description:
    name: description
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: SMILES
    domain_of:
    - Catalogue
    - CatalogueRecord
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - ResearchActivity
    - EntityOfInterest
    - ActivityOfInterest
    - Tool
    - Environment
    - Plan
    - QualitativeAttribute
    range: string
  value:
    name: value
    description: The slot to provide the literal value of the QualitativeAttribute.
    from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
    rank: 1000
    slot_uri: prov:value
    alias: value
    owner: SMILES
    domain_of:
    - QualitativeAttribute
    - QuantitativeAttribute
    range: string
    required: true
  type:
    name: type
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
    rank: 1000
    slot_uri: dcterms:type
    alias: type
    owner: SMILES
    domain_of:
    - Agent
    - Dataset
    - LicenseDocument
    - ClassifierMixin
    range: DefinedTerm
    inlined: true
  rdf_type:
    name: rdf_type
    description: The slot to specify the ontology class that is instantiated by an
      entity.
    from_schema: https://stroemphi.github.io/dcat-4C-ap/dcat_4c_ap
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: SMILES
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: CHEMINF:000018