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: | 121-54-0 | |
|---|---|---|
| Name: | Benzethonium chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 121-54-0 | |
| InChi Code: | InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.165225659 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |