Hi Susan,
The current version of the tautomer hash doesn't do keto-enol tautomerism
(your first example). It would be worthwhile for us to add this as an
option, but it's not currently available.
-greg
On Wed, Jan 11, 2023 at 3:04 PM Susan Leung wrote:
> Hi all,
>
>
>
> I am trying out the ne
Hi all,
I am trying out the new registration hash and have a question about the
tautomer hash. I think these two molecules (m1 and m2) should have the same
tautomer hash but they are different. However, molecules m3 and m4 have the
same hash. Please can you explain?
import rdkit
from rdkit i
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