Confidence bands and hypothesis tests for hit enrichment curves.

ABSTRACT: In virtual screening for drug discovery, hit enrichment curves are widely used to assess the performance of ranking algorithms with regard to their ability to identify early enrichment. Unfortunately, researchers almost never consider the uncertainty associated with estimating such curves before declaring differences between performance of competing algorithms. Uncertainty is often large because the testing fractions of interest to researchers are small. Appropriate inference is complicated by two sources of correlation that are often overlooked: correlation across different testing fractions within a single algorithm, and correlation between competing algorithms. Additionally, researchers are often interested in making comparisons along the entire curve, not only at a few testing fraction

SUBMITTER: Ash JR 

PROVIDER: S-EPMC9334420 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature