We would like to identify an application programming interface (API) which can be fed a SMILES string, PubChem CID, IUPAC name or equivalent, which returns a set of strings corresponding to molecule classification e.g. ketone.

Direction to any such interface, API, tool or instructions on how to access this info through PubChem or ChemSpider would be greatly appreciated.

  • $\begingroup$ What is API, SMILES and CID ? $\endgroup$
    – Maurice
    Aug 28, 2020 at 9:56
  • $\begingroup$ Edited question. $\endgroup$
    – John Chris
    Aug 28, 2020 at 12:41


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