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: | 168273-06-1 | |
|---|---|---|
| Name: | Rimonabant | |
| Description: | ||
| Labels: | eval | |
| CAS: | 168273-06-1 | |
| InChi Code: | InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.472114075 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |