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Re: Generate tautomers [message #1758 is a reply to message #1757]

Thu, 27 October 2022 12:00

nbehrnd
Messages: 234
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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[Message index]

		Generate tautomers By: Christophe on Thu, 27 October 2022 11:25
		Re: Generate tautomers By: nbehrnd on Thu, 27 October 2022 12:00
		Re: Generate tautomers By: Christophe on Thu, 27 October 2022 15:54

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