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: | 1229-29-4 | |
|---|---|---|
| Name: | Doxepin hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1229-29-4 | |
| InChi Code: | InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.081216943 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |