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: | 112400-85-8 | |
|---|---|---|
| Name: | 1-Butyl-2-methylpyridinium chloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 112400-85-8 | |
| InChi Code: | InChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.035986018 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |