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Detect and group tautomers #14

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michaelwenk opened this issue Apr 27, 2023 · 0 comments
Open

Detect and group tautomers #14

michaelwenk opened this issue Apr 27, 2023 · 0 comments
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enhancement New feature or request

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@michaelwenk
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Detect tautomers by the tautomer generation after the structure elucidation and check which produced molecules are potentially within certain tautomer group.
Then return this list of groups to warn the user in frontend that tautomers might exist.
@michaelwenk michaelwenk added the enhancement New feature or request label Apr 27, 2023
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