When I was still doing research at Uppsala University, I had a internship student, Samuel Lampa, who did wonderful work on knowledge representation and logic (check his thesis). In that same period he started RDFIO, a Semantic MediaWiki extension to provide a SPARQL end point and some clever feature to import and export RDF. As I was already using RDF in my research, and wikis are great way to explore how to model domain data, particularly when extracted from diverse literature, I was quite interested. Together we worked on capturing pKa data, and Samuel had put DrugMet online. Extracting pKa values from primary literature is a lot of laborious work and crowdsourcing did not pick up. This data was migrated to Wikidata about a year ago.
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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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