CompLife2007, Utrecht/NL; Taverna, EBI/Hinxton/UK

Two working days left before I’m off to two conferences. First, next Thursday/Friday, the two day CompLife2007 in Utrecht/NL, with sessions on genomics, systems biology, medical information and data analysis. And, on the second day tutorials on KNIME and CDK/Bioclipse. I will try to orient as much as possible around MS-based metabolomics, and metabolite identity in particular. Last year the conference was very interesting. less than 1 minute read

SMILES to become an Open Standard

Craig James wants to make SMILES an open standard, and this has been received with much enthusiasm. SMILES (Simplified molecular input line entry specification) is a de facto standard in chemoinformatics, but the specification is not overly clear, which Craig wants to address. The draft is CC-licensed and will be discussed on the new Blue Obelisk blueobelisk-smiles mailing list. 1 minute read

Google's view in history

Pierre pointed me to Google’s view:timeline feature, which shows the search results on a time line, by recognizing phrases like “on 25 September 2000…”. This is its view on the Chemistry Development Kit: less than 1 minute read

re: ACS RSS feeds are messed up

A couple of people now confirmed the problem with the ACS journal RSS feeds . Being back behind my desktop machine, I can post the obligatory screenshot: less than 1 minute read

Tuning Google Results?

I was just about to install Subclipse (for the millionth time), and googled for the update site details: less than 1 minute read

SWT View with the new JChemPaint

The second Programmeerzomer and the second summer of code for me, will end tomorrow with a presentation of Niels on his new JChemPaint code. The summer is over before you know it. One of the goals was making the JChemPaint editor Swing independent and more easy to integrate with SWT widgets. less than 1 minute read

Tagging Molecules: a mashup of Connotea and RDF

Using the InChI and the new rdf.openmolecules.net website, it is now possible to tag molecules. And if you use Connotea for that, your tags will even show up on the rdf.openmolecules.net website. For example, at the time of writing, methane was tagged with alkanes and gas. 1 minute read