Summary of final CoMFA models for DNA synthesis inhibition and ER binding.
| Parameter | CoMFA Model | |
|---|---|---|
| DNA Synthesis Inhibition | ER Binding | |
| Alignment Used | #4 | #3 |
| Number of Compounds | 35 | 25 |
| Outliers Omitted | 13, 17 | None |
| Steric/Electrostatic Cut-Off | 100 kcal/mol | 80 kcal/mol |
| Scaling | None | CoMFA Standard |
| Electrostatics Dropped | No | Yes |
| q2 | 0.566 | 0.773 |
| Number of Components | 3 | 8 |
| r2 | 0.866 | 0.997 |
| S.E. | 0.107 | 0.125 |
| Steric Contribution to Molecular Field | 0.719 | 0.317 |
| Electrostatic Contribution to Molecular Field | 0.281 | 0.683 |