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TO DO: Enrichment vs. pre-calculated background #4

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lhm30 opened this issue Jul 22, 2019 · 0 comments
Open

TO DO: Enrichment vs. pre-calculated background #4

lhm30 opened this issue Jul 22, 2019 · 0 comments
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enhancement New feature or request

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@lhm30
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lhm30 commented Jul 22, 2019

Future work should aim to provide enrichment calculations for a pre-calculated background of compounds similar to the previous version, i.e. https://github.com/lhm30/PIDGINv2/blob/master/predict_enriched.py.

This is not as trivial to implement as the previous version, since the combination of both the probability of activity threshold (-p) and the applicability domain threshold (--ad) affect which predictions are made - c.f. the previous version just had the probability of activity cut-off.

@lhm30 lhm30 added the enhancement New feature or request label Jul 22, 2019
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