A bit over a year ago I added EPA CompTox Dashboard IDs to Wikidata. Considering that an entry in that database means that likely is something known about the adverse properties of that compound, the identifier can be used as proxy for that. Better, once the EPA team starts supporting RDF with a SPARQL end point, we will be able to do some cool federated queries.

For metabolomics the availability of mass spectra is of interest for metabolite identification. A while ago the SPLASH was introduced (doi:10.1038/nbt.3689), and adopted by several databases around the world. After the recent metabolomics winterschool it became apparent that this is now enough adopted to be used in Wikidata. So, I proposed a new SPLASH Wikidata property, which was approved last week (see P4964).
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This blog deals with chemblaics in the broader sense. Chemblaics (pronounced chem-bla-ics) is the science that uses computers to solve problems in chemistry, biochemistry and related fields. The big difference between chemblaics and areas such as chem(o)?informatics, chemometrics, computational chemistry, etc, is that chemblaics only uses open source software, open data, and open standards, making experimental results reproducible and validatable. And this is a big difference!
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