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Monday, August 23, 2010

First #acs_boston talk: Linking RDF to cheminformatics and proteochemometrics

Linking RDF to cheminformatics and proteochemometrics

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Acknowledgements to Samuel and Annzi, two great students!

Posted by Egon Willighagen at Monday, August 23, 2010

Tags: Bioclipse, CDK, chembl, cheminformatics, McPrinciple2, proteochemometrics, RDF, SPARQL

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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!

About Me

Egon Willighagen: Postdoctoral research associate at Maastricht University. Open source programming is my main hobby resulting in participation in, amongst many others, Bioclipse, CDK and Jmol. This blog is personal and may not reflect university's views.

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