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A molecular informatics weblog

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Entries from October 22nd, 2008

20 Seats left for GCC 2008 in Goslar

October 22nd, 2008 · No Comments · Open Science

We’ve got 20 seats left for participants for the 4. German Conference on Chemoinformatics in Goslar next month.
Please help us to reach our limit of 200 participants and register at http://www.gdch.de/gcc2008

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JChemPaint turns three …

October 20th, 2008 · No Comments · Open Science

… point zero. Soon. Hopefully.
In 1997 I decided to start my own structure editor and called it JChemPaint. Soon after, documented here, Egon joined and a lot of open cheminformatics developed afterwards.
Now, my team and the Bioclipse guys at Uppsala, are at work designing and implementing JChemPaint 3.0, which will have a modular [...]

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Happy birthday, Chem-bla-gon

October 20th, 2008 · 1 Comment · Open Science

Chem-bla-ics, the blog of my long-term collaborator Egon Willighagen, is celebrating its third birthday. I guess it is not only the birthday of the blog but also of Egon as a blogger, so all the best, Chem-bla-gon, from me and my team. Egon has made a lot of nice and interesting contributions to chemical blog [...]

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Faster Fingerprints for the CDK

October 7th, 2008 · 4 Comments · Open Science

Mark Rijnbeek, who has moved to my team last month to work on the chemistry search engine for our new chemogenomics data, has given Rajarshi’s new fingerprint implementation a test. Mark was bored to hell by the performance of the version he had in hand and it turned out that it was my old one, [...]

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