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: | 4310-35-4 | |
|---|---|---|
| Name: | Tridihexethyl chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 4310-35-4 | |
| InChi Code: | InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.098246968 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |