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‎examples/Chemicals/wd_chemical_classes_cxsmiles.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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ex:wd_chemical_classes_cxsmiles a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes defined by CxSMILES."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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#title: Chemical classes defined by CxSMILES
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?class wdt:P31 ?instance.
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?class wdt:P10718 ?structure.
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

‎examples/Chemicals/wd_chemical_classes_fake_smiles.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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ex:wd_chemical_classes_fake_smiles a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes defined by SMARTS (fake SMILES)."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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#title: Chemical classes defined by SMARTS
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?structure wdt:P31 ?instance.
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?structure wdt:P8533 ?smiles.
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

‎examples/Chemicals/wd_chemical_classes_smarts.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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ex:wd_chemical_classes_smarts a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes defined by SMARTS."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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#title: Chemical classes defined by SMARTS
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?class wdt:P31 ?instance.
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?class wdt:P8533 ?structure.
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

‎examples/Chemicals/wd_chemical_classes_smiles_canonical.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix p: <http://www.wikidata.org/prop/> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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ex:wd_chemical_classes_smiles_canonical a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes defined by canonical SMILES."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX p: <http://www.wikidata.org/prop/>
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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#title: Chemical classes defined by canonical SMILES
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?class wdt:P31 ?instance.
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?class wdt:P233 ?structure.
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OPTIONAL { ?class p:P2017 ?isomeric. }
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FILTER(!(BOUND(?isomeric)))
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

‎examples/Chemicals/wd_chemical_classes_smiles_isomeric.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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ex:wd_chemical_classes_smiles_isomeric a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes defined by isomeric SMILES."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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#title: Chemical classes defined by isomeric SMILES
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?class wdt:P31 ?instance.
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?class wdt:P2017 ?structure.
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

‎examples/Chemicals/wd_chemical_classes_taxonomy.ttl‎

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@prefix dc: <http://purl.org/dc/elements/1.1/> .
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@prefix dcterms: <http://purl.org/dc/terms/> .
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@prefix ex: <https://lotus.nprod.net/lotus-sparql-examples/Chemicals/> .
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@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
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@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
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@prefix schema: <https://schema.org/> .
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@prefix sh: <http://www.w3.org/ns/shacl#> .
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@prefix spex: <https://purl.expasy.org/sparql-examples/ontology#> .
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@prefix wd: <http://www.wikidata.org/entity/> .
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@prefix wdt: <http://www.wikidata.org/prop/direct/> .
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@prefix wikibase: <http://wikiba.se/ontology#> .
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@prefix bd: <http://www.bigdata.com/rdf#> .
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ex:wd_chemical_classes_taxonomy a sh:SPARQLExecutable, sh:SPARQLSelectExecutable ;
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rdfs:comment "Chemical classes taxonomy."@en ;
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sh:prefixes _:sparql_examples_prefixes;
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sh:select """
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PREFIX wd: <http://www.wikidata.org/entity/>
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PREFIX wdt: <http://www.wikidata.org/prop/direct/>
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PREFIX wikibase: <http://wikiba.se/ontology#>
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PREFIX bd: <http://www.bigdata.com/rdf#>
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#title: Chemical classes taxonomy
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SELECT * WHERE {
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VALUES ?instance {
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wd:Q15711994 # group of isomeric entities
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wd:Q17339814 # group or class of chemical substances
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wd:Q47154513 # structural class of chemical entities
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wd:Q55640599 # group of chemical entities
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wd:Q56256173 # class of chemical entities with similar applications or functions
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wd:Q56256178 # class of chemical entities with similar source or occurrence
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wd:Q55662456 # group of ortho, meta, para isomers
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# wd:Q59199015 # group of stereoisomers # TODO see later on when fast enough
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wd:Q72070508 # group or class of chemical entities
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wd:Q74892521 # imprecise class of chemical entities
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}
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?class wdt:P31 ?instance.
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OPTIONAL { ?class wdt:P279 ?parent. }
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SERVICE wikibase:label { bd:serviceParam wikibase:language "[AUTO_LANGUAGE],mul,en". }
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}
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""";
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schema:target <https://query.wikidata.org/sparql> ;
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spex:federatesWith <http://wikiba.se/ontology#label> ;
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dcterms:license <https://creativecommons.org/publicdomain/zero/1.0/> ;
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schema:keywords "chemical classes" ;
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dc:creator "Lotus Contributors" .

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