Figure 4.
Violin plots of Kendall’s τ ranking correlation coefficients between predicted rankings and experimental IC50 rankings for the CatS dataset in Stages 1 and 2, and for predicted and experimental Kd values for all six kinase datasets: 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. The number of ligands for each subchallenge is given above each column.