• Corpus ID: 253018409

Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models

@inproceedings{Knight2022EnrichmentSA,
  title={Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models},
  author={Ian Scott Knight and Slava Naprienko and John J. Irwin},
  year={2022}
}
The standard quantitative metric for evaluating enrichment capacity known as LogAUC depends on a cutoff parameter that controls what the minimum value of the log-scaled x-axis is. Unless this parameter is chosen carefully for a given ROC curve, one of the two following problems occurs: either (1) some fraction of the first interdecoy intervals of the ROC curve are simply thrown away and do not contribute to the metric at all, or (2) the very first inter-decoy interval contributes too much to the… 

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