Metabolomics workflows in Taverna

My current jobs description is to speed up metabolomics data analysis, and finally got around to making a first relevant workflow for Taverna, using the webservices just posted over at ChemSpider:

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MetWare: metabolomics database project started on SourceForge

The Applied Bioinformatics at PRI group where I now work in Wageningen and the group of Steffen Neumann in Halle have started the MetWare project on Sourceforge to develop opensource databases for metabolomics data.

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When standards fail...

Jim shows that some people do not think webservices standards are complex enough in itself:

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An R-based genetic algorithm

During my PhD I wrote a simple but effective genetic algorithm package for R. Because there was a bug recently found, and there is interest in extending the functionality, I have set up a SourceForge project called genalg.

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Molecules in Wikipedia without InChIs #3

Third in the series of blogs about molecules in Wikipedia without an InChI (see also #1 and #2). There a certainly false positives, but here’s the updated list:

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Last Call for Open Laboratory 2007

Pedro reminded me of the last call for Open Laboratory 2007, which prints the best blog items of 2007 in book form. The list of chemistry contributions is not so large yet, so go ahead and nominate some of cool chemical blog items of the last year.

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Scintilla and Postgenomic.com on Linux 2.6.17+

That’s why blogging works! I reported last Friday on using my Wii for reading Scintilla and Postgenomic.com. Alf replied:

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