Dear Greg
Using
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import AvailDescriptors
mol = 'CC(C)c1ccccc1NN'
resultvalue = AvailDescriptors.descDict['MolWt'](mol) it is OK
if I use
mol = Chem.MolFromSmiles(row.cd_smiles)
row.cd_smiles comes from a database and
I compare 'CC(C)c1ccccc1NN' and row.cd_smiles
they look as similar
I got the following error
Python argument types in
rdkit.Chem.rdmolfiles.MolFromSmiles(unicode)
did not match C++ signature:
MolFromSmiles(std::string SMILES, bool sanitize=True)
Please write me what I can do ?
Best Regards
Bouille
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