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.

This post was originally posted as https://chem-bla-ics.blogspot.com/2006/02/chemical-reactions-in-cml.html.