chembl-molecule-information.rq

#+ summary: ChEMBL molecule information
#+ endpoint: https://www.ebi.ac.uk/rdf/services/sparql
#+ method: GET
#+ pagination: 50
#+ tags:
#+   - chembl
#+ defaults:
#+   - molecule: http://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL941

PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#>
PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#>
PREFIX owl: <http://www.w3.org/2002/07/owl#>
PREFIX xsd: <http://www.w3.org/2001/XMLSchema#>
PREFIX dc: <http://purl.org/dc/elements/1.1/>
PREFIX dcterms: <http://purl.org/dc/terms/>
PREFIX dbpedia2: <http://dbpedia.org/property/>
PREFIX dbpedia: <http://dbpedia.org/>
PREFIX foaf: <http://xmlns.com/foaf/0.1/>
PREFIX skos: <http://www.w3.org/2004/02/skos/core#>

PREFIX cco: <http://rdf.ebi.ac.uk/terms/chembl#>
PREFIX hasValue: <http://semanticscience.org/resource/SIO_000300>
PREFIX hasAttribute: <http://semanticscience.org/resource/SIO_000008>
PREFIX psa: <http://semanticscience.org/resource/CHEMINF_000307>
PREFIX logP: <http://semanticscience.org/resource/CHEMINF_000295>
PREFIX mw: <http://semanticscience.org/resource/CHEMINF_000216>

SELECT DISTINCT ?mw ?PSA ?logP
WHERE {
  ?_molecule_iri hasAttribute: ?prop1 .
  ?prop1 a ?prop1Type ; hasValue: ?mw .
  ?prop1Type rdfs:subClassOf mw: .
  ?_molecule_iri hasAttribute: ?prop2 .
  ?prop2 a ?prop2Type ; hasValue: ?PSA .
  ?prop2Type rdfs:subClassOf psa: .
  ?_molecule_iri hasAttribute: ?prop3 .
  ?prop3 a ?prop3Type ; hasValue: ?logP .
  ?prop3Type rdfs:subClassOf logP: .
}