add a first version of the functional_group_ontology.ttl ontology for…

… the CIF project
stuchalk · Mar 28, 2024 · 60f4b2d · 60f4b2d
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+@prefix : <http://www.semanticweb.org/n00002621/ontologies/2024/2/untitled-ontology-3/> .
+@prefix dct: <https://purl.org/dc/terms/> .
+@prefix owl: <http://www.w3.org/2002/07/owl#> .
+@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
+@prefix xml: <http://www.w3.org/XML/1998/namespace> .
+@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .
+@prefix ncit: <http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#> .
+@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
+@prefix cheminf: <http://semanticscience.org/ontology/cheminf.owl#> .
+@base <http://www.semanticweb.org/n00002621/ontologies/2024/2/untitled-ontology-3/> .
+
+<https://stuchalk.github.io/scidata/ontology/fgo.ttl> rdf:type owl:Ontology ;
+                                                       owl:versionInfo 1.0 ;
+                                                       dct:creator "Stuart Chalk"@en ;
+                                                       dct:date "2024-03-28" ;
+                                                       dct:description "An ontology of common functional groups in organic chemistry.  The definitions currently included reference the IUPAC Gold Book definitions of classes or organic compounds that feature the function group, rather than the group itself.  This will be updated in the future."@en ;
+                                                       dct:license "https://creativecommons.org/licenses/by/4.0/"@en ;
+                                                       dct:title "The (Organic Compound) Function Group Ontology (FGO)."@en .
+
+#################################################################
+#    Annotation properties
+#################################################################
+
+###  https://purl.org/dc/terms/creator
+dct:creator rdf:type owl:AnnotationProperty .
+
+
+###  https://purl.org/dc/terms/date
+dct:date rdf:type owl:AnnotationProperty .
+
+
+###  https://purl.org/dc/terms/description
+dct:description rdf:type owl:AnnotationProperty .
+
+
+###  https://purl.org/dc/terms/license
+dct:license rdf:type owl:AnnotationProperty .
+
+
+###  https://purl.org/dc/terms/source
+dct:source rdf:type owl:AnnotationProperty .
+
+
+###  https://purl.org/dc/terms/title
+dct:title rdf:type owl:AnnotationProperty ;
+          dct:description "A variable functional chemical moiety that is attached to a larger molecule."@en .
+
+
+###  https://stuchalk.github.io/scidata/ontology/fgo.ttl#format
+:format rdf:type owl:AnnotationProperty .
+
+
+#################################################################
+#    Classes
+#################################################################
+
+###  http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C177524
+ncit:C177524 rdf:type owl:Class ;
+             rdfs:label "functional group"@en .
+
+
+###  https://stuchalk.github.io/scidata/ontology/fgo.ttl#alcohol
+:alcohol rdf:type owl:Class ;
+         rdfs:subClassOf ncit:C177524 ;
+         dct:description "Compounds in which a hydroxy group, –OH, is attached to a saturated carbon atom R3COH."@en ;
+         dct:source <https://goldbook.iupac.org/terms/view/A00204> .
+
+
+###  https://stuchalk.github.io/scidata/ontology/fgo.ttl#amine
+:amine rdf:type owl:Class ;
+       rdfs:subClassOf ncit:C177524 ;
+       dct:description "Compounds formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups, and having the general structures RNH2, (primary amines), R2NH, (secondary amines), R3N (tertiary amines)."@en ;
+       dct:source <https://goldbook.iupac.org/terms/view/A00274> .
+
+
+###  https://stuchalk.github.io/scidata/ontology/fgo.ttl#carboxylic_acid
+:carboxylic_acid rdf:type owl:Class ;
+                 rdfs:subClassOf ncit:C177524 ;
+                 dct:description "Oxoacids having the structure RC(=O)OH. The term is used as a suffix in systematic name formation to denote the –C(=O)OH group including its carbon atom."@en ;
+                 dct:source <https://goldbook.iupac.org/terms/view/A00274> .
+
+
+###  Generated by the OWL API (version 4.5.26.2023-07-17T20:34:13Z) https://github.com/owlcs/owlapi