Hi,
I am wondering if anyone has made use (in the form of code, scripts, etc) of 
this database to identify canonical tautomers or the most stable ensemble of 
tautomers for organic, drug-like molecules:https://github.com/WahlOya/Tautobase

The attached reference also looks very very detailed:
https://figshare.com/articles/preprint/The_Prediction_of_Tautomer_Preference_in_Aqueous_Solution_Version_1_0_/8966276/1

Thanks,Marawan
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to