Fig. 2From: Multi-PLI: interpretable multi‐task deep learning model for unifying protein–ligand interaction datasets Model performance on PDBbind (regression). a Training set, RMSE = 0.75, R = 0.92; b validation set, RMSE = 1.34, R = 0.76; c test set (core2016), RMSE = 1.437, R = 0.75. Coordinates of x and y: pK(i,d) (−logKi or −logKd). Histogram: affinity distributions of real (x) and predicted (y) samples (pK(i,d))Back to article page