Table 3.
Predicted activities (PA) from CoMFA models compared with the experimental activities (EA) and the residues (δ)
| Compound | EA | CoMFA |
|
|---|---|---|---|
| PA | δ | ||
| 1 | 4.22 | 4.14 | 0.08 |
| 3 | 4.04 | 4.09 | −0.05 |
| 4 | 5.77 | 5.73 | 0.04 |
| 6a | 5.21 | 4.80 | 0.41 |
| 7 | 4.50 | 4.53 | −0.03 |
| 8 | 4.06 | 4.11 | −0.05 |
| 9 | 4.91 | 4.87 | 0.04 |
| 11 | 6.32 | 6.33 | −0.01 |
| 12 | 5.23 | 5.33 | −0.10 |
| 13a | 5.50 | 5.06 | 0.44 |
| 15 | 6.12 | 6.11 | 0.01 |
| 16a | 4.33 | 4.71 | −0.38 |
| 17 | 5.21 | 5.24 | −0.03 |
| 18 | 5.55 | 5.63 | −0.08 |
| 19 | 5.61 | 5.50 | 0.11 |
| 20a | 4.67 | 4.49 | 0.18 |
| 22 | 4.76 | 4.69 | 0.07 |
| 23a | 4.95 | 4.44 | 0.51 |
a
Compounds of the testing set.