As shown in the TCMGeneDIT web site, they have links to the STITCH database. I will need to contact them if this part of dataset is needed.

When you have the STITCH/PubchemIDs, you can also use them for mapping to DBpedia. You can retrieve the IDs from DBpedia like this:

SELECT *
WHERE {?dbpedia_uri <http://dbpedia.org/property/pubchem> ?pubchem_id}


Cheers,
Matthias

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