Many metrics are currently used to evaluate the performance of ranking methods in virtual screening (VS), for instance, the area under the receiver operating characteristic curve (ROC), the area under
Many metrics are currently used to evaluate the performance of ranking methods in virtual screening (VS), for instance, the area under the receiver operating characteristic curve (ROC), the area under
Enrichment of ligands versus property-matched decoys is widely used to test and optimize docking library screens. However, the unconstrained optimization of enrichment alone can mislead, leading to fa
