Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.
Compound
| ID: | 3648-21-3 | |
|---|---|---|
| Name: | Diheptyl phthalate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3648-21-3 | |
| InChi Code: | InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.0573421 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |