Table 1.

The ${\mathrm{r}}_{\mathrm{m}}^2$ metrics values of the selected models.

Alignment	Model	${{\mathbf{r}}_{\mathbf{m}}^2}_{\left(\mathbf{overall}\right)}$	${{{\mathbf{r}}^{\prime }}_{\mathbf{m}}^2}_{\left(\mathbf{overall}\right)}$	${{\mathbf{r}}_{\mathbf{m}}^2}_{\left(\mathbf{test}\right)}$	${{{\mathbf{r}}^{\prime }}_{\mathbf{m}}^2}_{\left(\mathbf{test}\right)}$
1	CoMFA-SE	0.866	0.865	0.902	0.901
1	CoMSIA-HSE	0.857	0.855	0.897	0.891
1	CoMSIA-AHSE	0.841	0.840	0.906	0.905
2	CoMFA-SE	0.876	0.875	0.867	0.866
2	CoMSIA-DHSE	0.850	0.849	0.949	0.945
2	CoMSIA-AHSE	0.833	0.831	0.927	0.925
3	CoMSIA-ASE	0.816	0.817	0.829	0.856
3	CoMSIA-DHS	0.764	0.766	0.615	0.648
3	CoMSIA-DHSE	0.839	0.840	0.743	0.754
3	CoMSIA-AHSE	0.815	0.816	0.791	0.823
3	CoMSIA-DAHSE	0.831	0.832	0.806	0.831