| Model | Modifier | Equation | r2 | F | MSE |
| PRESS | PRESS/SSY |
| 1 | Acetone |
| 0.976 | 40.899 | 0.002 | 0.922 | 0.187 | 0.078 |
| 2 | Methanol |
| 0.952 | 19.995 | 0.008 | 0.606 | 1.863 | 0.394 |
| 3 | Tetrahydrofuran |
| 0.710 | 2.444 | 0.007 | 0.015 | 1.640 | 2.153 |
= 5.405(±1.761) − 0.067(±0.058)·Sp + 6.718(±1.452)·EHOMO+ 24.180(±2.286)·ELUMO
= 5.638(±3.502) − 0.069(±0.115)·Sp + 6.467(±2.888)·EHOMO + 33.751(±4.545)·ELUMO
= −0.148(±3.116) + 0.113(±0.110)·Sp + 8.622(±4.302)·ELUMO − 0.108(±0.064)·HSA