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: | 85100-78-3 | |
|---|---|---|
| Name: | 1-Hexyl-3-methylimidazolium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 85100-78-3 | |
| InChi Code: | InChI=1S/C10H19N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h8-10H,3-7H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.007342438 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |