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: | 82640-04-8 | |
|---|---|---|
| Name: | Raloxifene hydrochloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 82640-04-8 | |
| InChi Code: | InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.637224765 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |