biostudies-literatureKim SSNIA NIH HHSNIAID NIH HHSNHLBI NIH HHSNational Institutes of HealthNIGMS NIH HHSNational Science Foundation1105-1116https://www.ebi.ac.uk/biostudies/studies/S-EPMC6606408biostudies-literatureUnknown93(6)The utilization of inverse docking methods for target identification has been driven by an increasing demand for efficient tools for detecting potential drug side-effects. Despite impressive achievements in the field of inverse docking, identifying true positives from a pool of potential targets still remains challenging. Notably, most of the developed techniques have low accuracies, limit the pool of possible targets that can be investigated or are not easy to use for non-experts due to a lack of available scripts or webserver. Guided by our finding that the absolute docking score was a poor indication of a ligand's protein target, we developed a novel "combined Z-score" method that used a weighted fraction of ligand and receptor-based Z-scores to identify the most likely binding target oChemical biology & drug designImproving inverse docking target identification with Z-score selection.PMC6606408CHE 1750666R01 AI140541R03 AG054904P41 GM128577R01 HL137015Kim SSLindert SAprahamian MLfalseImproving inverse docking target identification with Z-score selection.The utilization of inverse docking methods for target identification has been driven by an increasing demand for efficient tools for detecting potential drug side-effects. Despite impressive achievements in the field of inverse docking, identifying true positives from a pool of potential targets still remains challenging. Notably, most of the developed techniques have low accuracies, limit the pool of possible targets that can be investigated or are not easy to use for non-experts due to a lack of available scripts or webserver. Guided by our finding that the absolute docking score was a poor indication of a ligand's protein target, we developed a novel "combined Z-score" method that used a weighted fraction of ligand and receptor-based Z-scores to identify the most likely binding target o2019-01-01T00:00:00Z2019 Jun2026-05-03T22:28:41.169Z2020-06-04T07:08:34ZS-EPMC66064083060445410.1111/cbdd.13453