Table 3 Statistical measures with their minimum recommended values.
Statistical measures | Minimum recommended values |
|---|---|
K | number of descriptors in a model (statistically n/5 descriptors in a model) |
Df | degree of freedom (n-k-1) (higher is better) |
q2 | cross-validated r2 (>0.5) |
q2se | Error term for q2 |
pred_r2 | r2 for external test set (>0.5) |
pred_r2se | Error term for pred_r2 |