Table 2. Comparison of Methods’ Performance for Different Training and Test Sets for Single Mutations Using Minimization Protocol^a.

method/energy function	training/test set	R(RCV)	RMSE (kcal mol–1)	slope
Pred1	NM/NM	0.63(0.61)	1.22	1.00
	NM/SKEMPI	0.52	1.66	0.97
	SKEMPI/SKEMPI	0.53(0.52)	1.62	1.00
	SKEMPI/NM	0.62	1.27	0.60
Pred2	NM/NM	0.70(0.67)	1.12	1.00
	NM/SKEMPI	0.57	1.61	0.95
	SKEMPI/SKEMPI	0.58(0.58)	1.55	1.00
	SKEMPI/NM	0.69	1.20	0.97
Pred4	NM/NM	0.74(0.68)	1.05	1.00
	NM/SKEMPI	0.37	2.39	0.31
CC/PBSA	NM/NM	0.71	1.13	1.13
FoldX	test: NM	0.47	1.60	0.53
	test: SKEMPI	0.37	2.14	0.42
BeAtMuSiC	test: NM	0.52	1.36	0.86
	test: SKEMPI	0.40	1.82	0.80

^aR is the Pearson correlation coefficient between experimental and predicted ΔΔG values and R^CV is the five-fold cross-validated correlation coefficient. The last column shows the slope of the regression line between predicted and experimental values. CC/PBSA results were taken from the previous paper.²² All correlation coefficients are statistically significant (p-value ≪ 0.01).