Table 5.

The statistical performance of models M1b and M2b related to test set.

Output variables	Q2_ M1b_test	RMSE_M1b_test	Q2_M2b_test	RMSE_M2b_test
Average Binding Scores (1)	0.99960	0.01944	0.99895	0.00364
Binding Scores for 1BMQ (2)	0.99511	0.07123	0.99130	0.01220
Binding Scores for 1FM6 (3)	0.98730	0.11072	0.99926	0.00225
Binding Scores for 1GPB (4)	0.99375	0.06871	0.99946	0.00193
Binding Scores for 1H5U (5)	0.99439	0.07745	0.99872	0.00389
Binding Scores for 1US0 (6)	0.99151	0.10027	0.99885	0.00520