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Table 3 External validation of the models generated

From: Quantitative structure-activity relationship (QSAR) modelling study of some novel carboxamide series as new anti-tubercular agents

Parameter Threshold score Model 1 Model 2 Model 3 Model 4 Model 5
\( {R}_{\mathrm{pred}}^2 \) \( {R}_{\mathrm{pred}}^2 \) > 0.5 0.7543 0.7315 0.7423 0.6620 0.5781
R2test R2test > 0.6 0.6993 0.6858 0.6656 0.2745 0.8572
Average \( {\overline{R}}_m^2 \) (test) > 0.5 0.5954 0.6501 0.5530 0.0776 0.7284
Δ\( {\overline{R}}_m^2 \) (test) < 0.5 0.0244 0.0680 0.1295 0.3724 0.1310
RMSEP 1.0657 1.1101 1.132 0.9995 0.3388
\( {r}_0^2 \) > 0.5 0.5246 0.4725 0.3121 0.26839 0.8556
r20 > 0.5 0.6975 0.6825 0.6531 − 0.98759 0.8168
\( \left|{r}_0^2-\mathrm{r}{\prime}_0\right| \) \( \left|{r}_0^2-\mathrm{r}{\prime}_0\right| \) < 0.3 0.1728 0.2100 0.3409 1.25598 0.0388
k 0.85 < k < 1.15 0.8674 0.8631 0.8671 0.89299 0.98011
k 0.85 < k′ < 1.15 1.1419 1.1464 1.1374 1.10363 1.0164
(r2r02)/r2 (r2r02)/r2 < 0.1 0.2497 0.3109 0.5308 0.0225 0.0018
(r2r20)/r2 (r2r20)/r2 < 0.1 0.0026 0.0047 0.0187 4.59689 0.0471