Table 4.

Validation verification of HSVR based on prediction performance of those molecules in the training set and test set.

	Training Set	Test Set
n	50	13
$r_o^2$	0.95	0.77
k	1.03	1.05
${r^{\prime }}_o^2$	0.94	0.52
$r_m^2$	0.90	0.72
${r^{\prime }}_m^2$	0.85	0.60
$\langle r_m^2\rangle$	0.88	0.66
$\mathsf{\Delta }{r}_m^2$	0.05	0.12
$r^2,q_{\mathrm{CV}}^2,q^2,q_{\mathrm{Fn}}^2\ge 0.70$	x	x
$\left|r^2-q_{\mathrm{CV}}^2\right|<0.10$	x	N/A
$\left(r^2-r_o^2\right)/r^2<0.10\mathrm{and}0.85\le k\le 1.15$	x	x
$\left|r_o^2-{r^{\prime }}_o^2\right|<0.30$	x	x
$r_m^2\ge 0.65$	x	x
$\langle r_m^2\rangle \ge 0.65\mathrm{and}\mathsf{\Delta }{r}_m^2<0.20$	x	x
CCC ≥ 0.85	N/A †	x

^† Not applicable.