Regression analysis of computed MM free energy (∆∆Gcom) of AVSHx and their observed activities.

Table 4: Regression analysis of computed MM free energy (∆∆G_com) of AVSHx and their observed activities.

Regression analysis	A	B
${pIC}_{50}^{\exp} = - 0.513 \times Δ Δ H_{MM} + 4.692 (A)$	-	-
${pIC}_{50}^{exp} = - 0.119 \times Δ Δ G_{com} + 4.974 (B)$	-	-
Number of Compound n	6	6
Square correlation coefficient regression R²	0.79	0.98
LOO cross-validated Square correlation $R_{x v}^{2}$	0.74	0.93
Standard error of regression σ	0.35	0.09
Regression statistical significance, F-Test	14.97	112.52
Level of statistical significance α	> 95%	> 95%
Range of activities ${IC}_{50}^{\exp}$ (µM)	0.35-22.4