Fig. 2
From: PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Diversity distribution of ligands in the ligand molecular weight-based data split. Training set (n = 6770) and test set (n = 1651). A, B Chemical space defined by PCA factorization; C chemical space defined by molecular weight as X-axis and XlogP as Y-axis; D comparison of binding affinity value distribution in the train/test sets. The blue color stands for the training set, and the red color stands for the test set