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Fingerprinting functionality: make user able to select and deselect fragments for inclusion in fingerprint #114

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JonasSchaub opened this issue May 16, 2024 · 0 comments
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enhancement New feature or request

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@JonasSchaub
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E.g. add check boxes to overview view and use it to offer user this functionality. Can be helpful in clustering to pre-exclude fragments that appear in most molecules and are hence not descriminating.

@JonasSchaub JonasSchaub added the enhancement New feature or request label May 16, 2024
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