Fig. 6

The residual (binary cross entropy) distribution plots of the a fivefold cross-validated training set and b test set (b) for the four well-performing QSAR models (DNN, SGB, XGBoost, and SVM). X axis represents the value of binary cross entropy, and Y axis represents the ratio of number of compounds with the residuals higher than a value to the total number of compounds in the training or test set