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Saturday, May 04, 2019

Wikidata, CompTox Chemistry Dashboard, and the DSSTOX substance identifier

The US EPA published a paper recently about the CompTox Chemistry Dashboard (doi:10.1186/s13321-017-0247-6). Some time ago I worked with Antony Williams and we proposed a matching Wikidata identifier. When it was accepted, I used a InChIKey-DSSTOX identifier mapping data sets by Antony (doi:10.6084/M9.FIGSHARE.3578313.V1) to populate Wikidata with links. Overtime, when more InChIKeys were found in Wikidata, I would use this script to add additional mappings. That resulted in this growth graph:

Source: Wikidata.
Now, about a week ago Antony informed me he worked with someone of Wikipedia to have the DSSTOX automatically show up in the ChemBox, which I find awesome. It's cool to see your work on about 38 thousand (!) Wikipedia pages :)
Part of the ChemBox of perfluorooctanoic acid.
(I'm making the assumption that all 38 thousand Wikidata pages for chemicals have Wikipedia equivalents, which may be a false assumption.)

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