Table 2. Golbraikh and Tropsha Acceptable Model Criteriaa.
| parameters | calculation model | threshold |
|---|---|---|
| R2 |  |
>0.6 |
| Radj2 |  |
>0.6 |
| MSE |  |
low value |
| Ftest |  |
high value (>0.3) |
| Rtest2 |  |
>0.6 |
| Qcv2 |  |
>0.5 |
| RRand2 | RRand2 average over 50 random iterations | <R2 |
| Qcv LOO(Rand)2 | Qcv loocv2 average over 50 random iterations | <Qcv2 |
| cRp2 |  |
>0.5 |
a
Yobs and Ycalc: observed and predicted pIC50 values. 
and 
average of observed and predicted pIC50 values. N: number of individual (compound)
datasets and p: number of selected descriptors. Rand
refers to the values obtained by the Y-randomization
test.