Fig 3. The performance of the 4 models on predicting actives of the test set compounds.

A, model AADR.139 generated from training set 1. B, model AAADR.20 generated from training set 2. C, model AAADR.1 generated from training set 3. D, model AAAR.2 generated from training set 3. In the cases of models AAADR.1 and AAAR.2, there were no test set compounds as all 268 compounds were used as training, as described in details in Materials and Methods.