Table 5.
Accepted 2D-QSAR model validation tools.
| Parameters | Interpretation | Acceptable value | Generated 2D-QSAR model |
|---|---|---|---|
| r2 | Coefficient of determination | ≥0.6 | 0.88 |
| r2 adjusted | Adjusted R-squared | >0.6 | 0.84 |
| Q2LOO | Coefficient of determination for internal validation | >0.5 | 0.81 |
| R2m cv | R2m cross validation parameter | >0.5 | 0.57 |
| cRp2 | Coefficient of determination for Y-randomization | >0.5 | 0.81 |
| R2test | Coefficient of determination of external validation | >0.6 | 0.71 |
| Q2 (F) | The regression slope passing through the origin | >0.5 | 0.52 |
| K | The regression slope passing through the origin (plot of experimental versus predicted activities) | 0.85 ≤ k ≤ 1.15 | 0.96 |
| K′ | The regression slope passing through the origin (plot of predicted versus experimental activities) | 0.85 ≤ k′ ≤ 1.15 | 1.04 |