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: | 93457-69-3 | |
|---|---|---|
| Name: | 1-Butyl-1-methylpyrrolidinium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 93457-69-3 | |
| InChi Code: | InChI=1S/C9H20N/c1-3-4-7-10(2)8-5-6-9-10/h3-9H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.006520389 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |