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: | 121-17-5 | |
|---|---|---|
| Name: | 1-Chloro-2-nitro-4-(trifluoromethyl)benzene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 121-17-5 | |
| InChi Code: | InChI=1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.372645098 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |