Egon Willighagen has been growing the Linked Open Chemistry Data with his work on rdf.openmolecules.net. He has now integrated to the InChI Resolver to enhance the integration as shown below. We’re looking forward to hearing from users benefiting from this!

OpenMolecules RDF

About http://rdf.openmolecules.net/?InChI=1/CH4/h1H4
Identifier info:inchi/InChI=1/CH4/h1H4
InChI InChI=1/CH4/h1H4
Source Chemical blogspace
Source ChEBI
ChEBI ID CHEBI:16183
owl:sameAs http://bio2rdf.org/chebi:16183
Source Connotea
Tag NewTag
Tag alkanes
Tag Gas
Tag InChI
Source DBPedia
owl:sameAs http://dbpedia.org/resource/Methane
Source NMRShiftDB
owl:sameAs http://pele.farmbio.uu.se/nmrshiftdb/?moleculeId=20029286
NMRShiftDB mol ID 20029286
Source ChemSpider
ChemSpider ID 291

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One Response to “Egon Integrates the InChI Resolver to RDF.Openmolecules.net”

  1. Egon Willighagen says:

    Oh, I’m not actually using the resolver. I am using an index of about 10 (or 20) thousand tuples with InChI and ChemSpider ID. I do not have in fact PHP code to query to ChemSpider resolver to dynamically resolve the InChI.

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