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Re: Generate tautomers [message #1758 is a reply to message #1757] Thu, 27 October 2022 12:00 Go to previous messageGo to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
Christophe,

maybe the answer is «not yet», yet there are multiple programs/services available to generate them. Though his focus was the description of tautomers, one presentation by Marc Niclaus of NIH mentioned their tautomerizer to consider 80+ rules

https://cactus.nci.nih.gov/tautomerizer/

requesting SMILES strings as input as an example.

Regards,

Norwid
 
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