Table 2 The minimum required values for a QSAR model to be generally acceptable
From: In silico modeling of tetraoxane-8-aminoquinoline hybrids active against Plasmodium falciparum
Symbol | Name | Value |
|---|---|---|
R2 | Coefficient of determination | ≥ 0.6 |
P(95%) | Confidence interval at 95% confidence level | < 0.05 |
Q2cv | Cross validation coefficient | < 0.5 |
R2−Q2cv | Difference between R2 and Q2cv | ≤ 0.3 |
Next. test set | Minimum number of external test set | ≥ 5 |
cR2p | Coefficient of determination for Y-randomization | > 0.5 |