Well, another milestone, I guess...

The market is seriously changing now. Another year, and Microsoft
Windows is no longer the majority OS. Of course, my blog is very
specific, and these statistics do not map well to global market
shares.

What do you make of it? :)

I'm updating my Groovy Cheminformatics book, and hope to release the third edition in a week or so, based on the CDK 1.4.0. In fact, nothing has changed that makes the 2nd edition outdated; the new edition will add a few sections, that's all. It will include a new chapter on 2D rendering based on two earlier blog posts, a code example for aromaticity detection, and a section on how to read and write SMILES, as shown in the screenshot.

CDK-Taverna 2.0 with Taverna 2.0 can in fact do this. Major technological improvement! Also, you get visual feedback on how far it has progressed. It still is rather unpolished, but I am happy to see progress!

Is there a R package (or something similar) available to recover experimental data from a heat map like the one shown here? Like the digitize package does for scatter plots...

Our institute started using a Mendeley group for its publications recently. And a lot of my colleagues are using Word and EndNote. I use neither. My personal workflow includes LaTeX, BibTeX, and since recently BibLaTeX, and CiteULike (all content mirrored to Mendeley). And recent talk by Benjamin, I decided to give the Mendeley plugin for OpenOffice a go (in LibreOffice, in fact). It does what it needs to do. I am not sure yet how to customize the display (the equivalent of, for example, unsrt), but not so worried about that personally. This screenshot shows what my test looked like.

I was not aware of that earlier, but data you have present in a semantic form in MediaWiki can be plotted using jqplot.

See this BioStar question.