Table 4.
Statistical parameters of six QSAR models of xanthone derivatives from BuildQSAR
| Model | R | s | Fcalc/Ftable | Q2 | SPRESS | |
|---|---|---|---|---|---|---|
| Systematic search | ||||||
| 1 | qC2, qC4, qC8a | 0.789 | 0.331 | 3.303 | 0.356 | 0.628 |
| 2 | qC1, qC5, qC7, logP | 0.827 | 0.332 | 2.698 | 0.139 | 0.630 |
| 3 | qC1, qO10, qC5, qC7, logP | 0.886 | 0.306 | 2.917 | 0.022 | 0.668 |
| Genetic algorithm | ||||||
| 4 | qC2, qC4, qC8a | 0.789 | 0.331 | 3.303 | 0.356 | 0.628 |
| 5 | qC4, qC4a, qC10a, V | 0.839 | 0.321 | 2.975 | 0.446 | 0.710 |
| 6 | qC1, qC2, qC3, u, logP | 0.976 | 0.144 | 15.920 | 0.651 | 0.390 |
Abbreviations: QSAR, quantitative structure–activity relationship; u, dipole moment.