Table 6.

The statistical performance of models M1b and M2b related to validation leave one out (LOO) procedure.

Output variables	Correlation coefficient Q2cv_M1b_LOO	RMSE_M1b_ LOO	Correlation coefficient Q2cv _M2b_LOO	RMSE_M2b_ LOO
Average Binding Scores (1)	0.97814	0.14745	0.97047	0.17134
Binding Scores for 1BMQ (2)	0.95209	0.21829	0.94056	0.24311
Binding Scores for 1FM6 (3)	0.93697	0.25049	0.90163	0.31278
Binding Scores for 1GPB (4)	0.93066	0.26267	0.90951	0.29999
Binding Scores for 1H5U (5)	0.93188	0.26032	0.93508	0.25406
Binding Scores for 1US0 (6)	0.95677	0.20738	0.92162	0.27916