Regression analysis of computed QM binding energy (∆∆GQMcom) of AVSHx and their observed activities.

Table 5: Regression analysis of computed QM binding energy (∆∆G_QMcom) of AVSHx and their observed activities.

Regression analysis	C	D
${pIC}_{50}^{exp} = - 0 .817 \times Δ Δ H_{QM} + 4.950 (C)$	-	-
${pIC}_{50}^{\exp} = - 0 .154 \times Δ Δ G_{com} + 5.210 (D)$	-	-
Number of Compound n	6	6
Square correlation coefficient regression R²	0.97	0.77
LOO cross-validated Square correlation $R_{x v}^{2}$	0.96	0.72
Standard error of regression σ	0.13	0.36
Regression statistical significance, F-Test	126.45	13.71
Level of statistical significance α	> 95%	> 95%
Range of activities (µM)	0.35-22.4