Are these organic molecules the same?

Cambridge pubs are not just good for the (Danish) beer, but also for the pub quizzes. Peter asked if the below molecules are the same. I did not think so, but… what do you think? He also asked if they are chiral. We got until tomorrow 20:00 BST.

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Mapping BioStar users onto the world map

Neil is my new bioinformatics hero! (Sorry Pierre :)

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CDK Book in progress

Very much overdue, but still in progress, is my book on CDK programming. I am in love with the writing environment, a mix of make, Groovy and LaTeX, where the code snippets are written in Groovy and embedded into LaTeX (see CDK - The Documentation). The Groovy script is actually run by the build system, allowing me to embed the output too.

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The 100th CDK 2003 paper

We got a winner! Crabtree just published the paper An Open-Source Java Platform for Automated Reaction Mapping (doi:10.1021/ci100061d), and is, according to Web of Science, the 100th paper to cite the CDK 2003 paper (doi:10.1021/ci025584y)!

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RDFa support in CiteULike

Last month I reported a A list of things I miss in CiteULike and the developers have not been sitting still. Only one of the things they started to adopt is RDFa in the CiteULike web interface. Of course, you will not see this in the browser, unless you use something like the RDFaDev plugin in Firefox:

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Visualizing data embedded in XHTML+RDFa

Orion picked up my challenge and made an web based application to graph data from one of my XHTML-RDFa pages. Well done! He wrote his work up in his blog of which the results looks like:

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Quo vadis, CDK?

Tomorrow it is 10 years ago that the CDK was founded. The project has considerably grown and has a high impact on science. The CDK code base did not start 10 years ago, but was founded on the code bases of CompChem, JChemPaint, and Jmol, but has seen several reincarnations since the start.

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