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How to map CAS numbers to ATC codes?

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Hi there!

Is there an easy way to map CAS numbers onto ATC classification (preferably using openbabel (pybel))?


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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.  

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