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: | 3734-33-6 | |
|---|---|---|
| Name: | Denatonium benzoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3734-33-6 | |
| InChi Code: | InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.066836671 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |