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: | 94280-72-5 | |
|---|---|---|
| Name: | 1-Butyl-1-methylpiperidinium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 94280-72-5 | |
| InChi Code: | InChI=1S/C10H22N/c1-3-4-8-11(2)9-6-5-7-10-11/h3-10H2,1-2H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004300212 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |