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: | 874-80-6 | |
|---|---|---|
| Name: | 1-Butylpyridinium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 874-80-6 | |
| InChi Code: | InChI=1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.00517014 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |