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marvinm2 / AOPWikiRDF

This repository contains code for the AOP-Wiki XML-to-RDF conversion and guidance to deploy a Virtuoso SPARQL endpoint Docker image that is loaded with the AOP-Wiki RDF
MIT License
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InchiKey Identifiers #1

Closed marvinm2 closed 5 years ago

marvinm2 commented 5 years ago

https://github.com/marvinm2/AOPWikiRDF/blob/3c284d5def4259d3d7fe65ce51c30738313e1afe/AOPWiki_XML_to_Ttl.py#L96-L99

We need a proper link for the inchi-keys that are present in the AOP Wiki.

egonw commented 5 years ago

For the InChIKey you can use the CHEMINF ontology (see https://doi.org/10.1371/JOURNAL.PONE.0025513): http://semanticscience.org/resource/CHEMINF_000059 (see https://github.com/semanticchemistry/semanticchemistry/blob/c211764a914856ef9b7f8f9f54c31b53147fb5fb/ontology/cheminf-core.owl#L1129-L1140)