Hello!
There might be different smiles for a compound due to existence of tautomers. I
need to convert canonical smiles of a compound to all possible smiles of its
tautomers.
I dig into tautomer.h library and tried to obtain all possible tautomer smiles
of a compound but the algorithm just out
On Tue, May 29, 2018 at 8:42 AM, Haddadi Kiandokht
wrote:
> Hello!
>
> There might be different smiles for a compound due to existence of
> tautomers. I need to convert canonical smiles of a compound to all possible
> smiles of its tautomers.
>
> I dig into tautomer.h library and tried to obtain
