Hello colleagues,
I tried to change all F's into H's. It worked. But when I converted the
result into a smiles string, there is the occasional lingering explicit
hydrogen. It is there even after I do a RemoveHs().
Just wonder what is this explicit H about, since it may have implications
on any further processing.
Thank you!
Ling
mh = Chem.MolFromSmiles("[#1]")
mf = Chem.MolFromSmarts('F')
m5 = Chem.MolFromSmiles("F/C=C1/[C@H](F)[C@@H](F)O[C@@H]1F")
m6s = AllChem.ReplaceSubstructs(m5,mf,mh,replaceAll=True)
m6 = m6s[0]
print(Chem.MolToSmiles(Chem.RemoveHs(m6)))
[H]C=C1CCOC1
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