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: | 3563-01-7 | |
|---|---|---|
| Name: | Aprofene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3563-01-7 | |
| InChi Code: | InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.040788862 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |