Is there an easy way to map CAS numbers onto ATC classification (preferably using openbabel (pybel))?
rajarshi guha [ Editor ] from Bethesda, United States of America
This is not going to be trivial or (necessarily) accurate. One approach would be to obtain a structure from the CAS number (possibly via PubChem synonyms) and then either using synonyms or names, look up the structure in KEGG. The latter provides ATC annotations.