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: | 171058-21-2 | |
|---|---|---|
| Name: | 1-Methyl-3-tetradecylimidazolium chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 171058-21-2 | |
| InChi Code: | InChI=1S/C18H35N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-18H,3-15H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.017112324 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |