Table 3.
Regression coefficients and intercept (with standard errors in parentheses) of Hansch 2D-QSAR models.
| Model | I1 | I2 | I3 | I4 | I5 | I6 | I7 | I8 | ΣπR | (ΣπR)2 | πPara(R) | B1Para(R) | Intercept |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | – | −0.868 (0.321) | 0.563 (0.151) | −1.022 (0.237) | 1.023 (0.368) | 0.788 (0.368) | 1.168 (0.368) | 0.763 (0.368) | 0.828 (0.219) | – | – | – | 7.520 (0.187) |
| 1aa | – | −0.976 (0.203) | 0.466 (0.096) | −1.087 (0.150) | 0.919 (0.233) | 0.684 (0.233) | 1.064 (0.233) | 0.659 (0.233) | 0.816 (0.139) | – | – | – | 7.631 (0.119) |
| 2 | – | −0.814 (0.327) | 0.582 (0.153) | −1.061 (0.242) | 0.989 (0.370) | 0.754 (0.370) | 1.134 (0.370) | 0.729 (0.370) | 1.303 (0.573) | −0.349 (0.389) | – | – | 7.392 (0.236) |
| 2ab | – | −0.797 (0.180) | 0.447 (0.084) | −1.139 (0.131) | 0.854 (0.201) | 0.619 (0.201) | 0.999 (0.201) | 0.594 (0.201) | 1.945 (0.333) | −0.721 (0.219) | – | – | 7.259 (0.138) |
| 3 | 0.962 (0.208) | – | – | −1.127 (0.336) | 1.400 (0.519) | 1.165 (0.519) | 1.310 (0.519) | – | – | – | – | −0.735 (0.253) | 7.252 (0.409) |
| 3aa | 1.042 (0.174) | – | – | −1.198 (0.280) | 1.321 (0.432) | 1.086 (0.432) | 1.231 (0.432) | – | – | – | – | −0.625 (0.212) | 7.097 (0.342) |
a
Model obtained without compound 22;
b
Model obtained without compounds 5 and 22