mcs07 / PubChemPy

Python wrapper for the PubChem PUG REST API.
http://pubchempy.readthedocs.io
MIT License
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Fixing failed search example pcp.get_compounds('CC', searchtype='superstructure', listkey_count=3) #78

Open bertiewooster opened 1 year ago

bertiewooster commented 1 year ago

Example as given returns error: 'PUGREST.BadRequest' urllib.error.HTTPError: HTTP Error 400: PUGREST.BadRequest

Adding 'smiles' as namespace solves the problem.

Or perhaps there's a way to get the search to work without specifying the namespace?