Table 1.

Average Q ² and RMSE values obtained by the LOO cross validations of the docking‐score QSAR model with various λ and W=0 for all 107 proteins.

λ	Q2	RMSE (kcal/mol)	λ	Q2	RMSE (kcal/mol)
0	0.423	1.544	0.0005	0.704	1.074
0.00001	0.702	1.087	0.001	0.702	1.076
0.00002	0.703	1.081	0.002	0.687	1.089
0.00005	0.704	1.077	0.005	0.680	1.101
0.0001	0.705	1.074	0.01	0.669	1.122
0.0002	0.704	1.075	0.1	0.392	1.627