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: | 99300-78-4 | |
|---|---|---|
| Name: | Venlafaxine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 99300-78-4 | |
| InChi Code: | InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.08350623 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |