Good afternoon folks,
I would imagine that if you remove the hydrogens, the
resulting molecule would be a substructure of the
original molecule. However, when I do the following
to the attached MDL mol file, there is no matches.
from rdkit import Chem
mol = Chem.MolFromMolFile('temp.mol',
Dear Ling,
On Thu, Aug 22, 2013 at 11:49 PM, S.L. Chan slch...@yahoo.com wrote:
Good afternoon folks,
I would imagine that if you remove the hydrogens, the
resulting molecule would be a substructure of the
original molecule. However, when I do the following
to the attached MDL mol file,
2 matches
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