Stereochemistry - Canonicalized Tautomers

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1

Hi,

Is there a node in CDK that can convert a molecule into canonical tautomers (best possible) without losing stereochemistry?

Thanks,
Shiva

2

No, nothing like that. It also depends on what you define as best possible tautomer… did you see https://www.ncbi.nlm.nih.gov/pubmed/27481667 ?

3

Thank you for the response. I was able to generate one using Tautomer generator under AMBIT nodes.

4

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