Molecule SMILES to ChEMBL ID
Dear Knime users,
I have a bunch of molecules from which I am trying to automatically extract information such as target and MoA through ChEMBL. The following workflow was very inspiring to me: Extract SMILES or other data from ChEMBL – KNIME Community Hub%20on%20CADD/GGP2113_ChEMBLSMILES~7YhP9pbW4loHovWB/current-state)
Problem is that your input needs to contain a ChEMBL ID for each molecule, and I only have the SMILES.
Does anyone have a solution or faced this issue in the past?
Cheers,
Gurvan