Dear all,
Within rdkit '2020.03.6' the following code in a jupyter notebook goves the
first image below :
from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole
m = Chem.MolFromSmiles('c1cc(C(=O)O)c(OC(=O)C)cc1')
substructure = Chem.MolFromSmarts('C(=O)O')
print(m.GetSubstructMatches
Dear all,
I'm looking for a tool that can generate chemical structures from the molecular
weight of the compound.
Do you know RDKit functions or other tools able to offer that service ?
Best regards,
Stéphane BOURG, Ph. D.
Equipe Bioinformatique Structurale et Chémoinformatique (SBC)
Institu
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