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Implement prediction of derivatization that breaks cyclic molecules #22

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maximskorik opened this issue Nov 24, 2022 · 2 comments
Open

Implement prediction of derivatization that breaks cyclic molecules #22

maximskorik opened this issue Nov 24, 2022 · 2 comments
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enhancement New feature or request

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@maximskorik
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  • From README.md: The known limitation is methoximation on cycles which should be broken. This is not implemented yet.
@maximskorik maximskorik added the enhancement New feature or request label Nov 24, 2022
@maximskorik maximskorik changed the title Implement prediction of derivatization that break cyclic molecules Implement prediction of derivatization that breaks cyclic molecules Nov 24, 2022
@hechth
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hechth commented Jun 23, 2023

@ElliottJP how important is this feature?

@hechth
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hechth commented Mar 21, 2024

This should first be reviewed how much it is actually happening and whether this should be considered.

Maybe @maximskorik , @ljocha or @ElliottJP have some input on this?

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@hechth @maximskorik