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: | 85100-77-2 | |
|---|---|---|
| Name: | 1-Butyl-3-methylimidazolium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 85100-77-2 | |
| InChi Code: | InChI=1S/C8H16N2/c1-3-4-5-10-7-6-9(2)8-10/h6-7H,3-5,8H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.013279893 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |