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chembl / chembl_webservices_2

Source code of the ChEMBL web services.
https://www.ebi.ac.uk/chembl/ws
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Support CHEMBL_ID search for flexmatch #141

Closed juanfmx2 closed 6 years ago

juanfmx2 commented 6 years ago

It would be useful to be able to provide a CHEMBL ID as a parameter of a flexmatch search

Currently, it accepts smiles only: https://www.ebi.ac.uk/chembl/api/data/molecule.json?molecule_structures__canonical_smiles__flexmatch=C

While substructure and similarity accept both.

mnowotka commented 6 years ago

@juanfmx2 this is now implemented: https://www.ebi.ac.uk/chembl/api/data/molecule.json?molecule_structures__canonical_smiles__flexmatch=CHEMBL25