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: | 83881-52-1 | |
|---|---|---|
| Name: | Cetirizine dihydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 83881-52-1 | |
| InChi Code: | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.228944593 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |