Friday, February 17, 2006

Chemical reactions in CML

Gemma Holiday's article on CMLReact was published in the january issue of the JCIM (DOI 10.1021/ci0502698), which seems to be marked as sample issue right now. She used CMLReact as data format for MACiE (see DOI 10.1093/bioinformatics/bti693), a database of 100 enzyme reactions, with fully annotated reaction mechanisms, making this an remarkable and insightfull database.

Now, the nice thing is that this CML should be readable and renderable by the CDK, though the webinterface uses SVG and can be used using FireFox too.

Update: fixed DOI of CMLReact article.