Table 5.

Ten-fold cross-validation of the TopNetTree on the SKEMPI 2.0 data set

	Rp	τ	RMSE (kcal/mol)		Rp	τ	RMSE (kcal/mol)
Fold 1 (Train)	0.981	0.884	0.366	Fold 6 (Train)	0.983	0.904	0.353
Fold 1 (Test)	0.835	0.595	1.065	Fold 6 (Test)	0.836	0.594	1.064
Fold 2 (Train)	0.982	0.902	0.360	Fold 7 (Train)	0.983	0.904	0.356
Fold 2 (Test)	0.839	0.600	1.061	Fold 7 (Test)	0.838	0.594	1.060
Fold 3 (Train)	0.982	0.887	0.366	Fold 8 (Train)	0.979	0.878	0.392
Fold 3 (Test)	0.837	0.595	1.068	Fold 8 (Test)	0.840	0.596	1.061
Fold 4 (Train)	0.981	0.880	0.369	Fold 9 (Train)	0.982	0.902	0.362
Fold 4 (Test)	0.841	0.596	1.059	Fold 9 (Test)	0.838	0.596	1.069
Fold 5 (Train)	0.982	0.906	0.365	Fold 10 (Train)	0.982	0.886	0.367
Fold 5 (Test)	0.839	0.594	1.062	Fold 10 (Test)	0.835	0.596	1.064
Average (Train)	0.982	0.893	0.366
Average (Test)	0.838	0.596	1.063

Abbreviation: RMSE, root mean square error.