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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. -
Using PubChem to create CDK unit tests
In 2008 I posted about Wicked chemistry and unit testing and was using BeanShell at the time to convert a structure on PubChem into CDK source code. But since I rather use Groovy now, I have updated the code. I used CDK 1.3.6 and the PubChem XML format now: -
A list of things I miss in CiteULike
AJCann posted a blog today about what he doesn’t like about Mendeley. Abhishek replied that he does not like people complain about one tool, instead of pointing out a good alternative. Mendeley has two alternatives, Zotero and CiteULike (there is also Connotea, but got behind in evolution).