Hello,
I was doing some tests with the SaltRemover and I stumbled upon this case:
I have a list of inactive ingredients/salts which contains hexane. If I define
it as a salt for the SaltRemover, it will also remove cyclohexane fragments
from the molecule (strippedmol is then empty).
mol = Chem.MolFromSmiles('C1CCCCC1.C1CCCCC1')
s = SaltRemover.SaltRemover(defnData="CCCCCC")
strippedmol = salty.StripMol(mol)
With hexane being a substructure of cyclohexane, I understand why this is
happening, but I was wondering if there is any way this could be avoided?
Thanks,
Malgorzata
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