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: | 140-72-7 | |
|---|---|---|
| Name: | Cetylpyridinium bromide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 140-72-7 | |
| InChi Code: | InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.023492783 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |