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Add ROC-AUC curve for docking results #13

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apayne97 opened this issue Mar 27, 2024 · 2 comments
Open

Add ROC-AUC curve for docking results #13

apayne97 opened this issue Mar 27, 2024 · 2 comments
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@hmacdope @apayne97

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@apayne97
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Pretty self-explanatory - mostly for docking we're looking for early enrichment, and the AUC curve is pretty standard for this. Could also add a table of EFs.
@hmacdope
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hmacdope commented Apr 1, 2024

@apayne97 would you be able to champion this? All we really need to get started is a notebook that calculates AUC curves and we can work from there.

@hmacdope
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hmacdope commented Apr 1, 2024

Which should actually sync well with your work with harbor @apayne97

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@hmacdope @apayne97