Figure 7.

Violin plots of Kendall’s τ ranking correlation coefficients between predicted rankings and experimental rankings for submissions that use machine learning (“yes”) and those that do not (“no”) in each target dataset: CatS dataset in Stages 1 and 2, ABL1, JAK2 SC2, JAK2 SC3, p38-a, TIE2, and VEGFR2. Mean, minimum, and maximum Kendall’s τs for each target are shown by whiskers. Null models based on clogP and molecular weight are shown in green and purple, respectively. Null models were not calculated for the ABL1 target, since this subchallenge only contains two ligands.