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 |