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pubchem_by_bio2rdf

以前のリビジョンの文書です


PubChem (by Bio2RDF)

  • PubchemID、InChI、分子式、SMILES、IUPAC
select DISTINCT * 
where 
{
?substance <http://www.w3.org/1999/02/22-rdf-syntax-ns#type> <http://bio2rdf.org/ns/ns/ns/pubchem#Substance>.
?substance <http://www.w3.org/2000/01/rdf-schema#label> ?label.
?substance <http://purl.org/dc/elements/1.1/identifier> ?identifier.
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/bio2rdf#lsid> ?lsid}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/pubchem#source> ?source}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/bio2rdf#url> ?url}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/bio2rdf#urlImage> ?image}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/bio2rdf#synonym> ?synonym}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/pubchem#InChI> ?inchi}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/pubchem#Molecular_Formula> ?molecularFormula}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/pubchem#SMILES> ?smiles}
   OPTIONAL {?substance <http://bio2rdf.org/ns/ns/ns/pubchem#IUPAC_Name> ?iupacName}
}
pubchem_by_bio2rdf.1352972765.txt.gz · 最終更新: 2012/11/15 18:46 +0900 by kushidat