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: | 454-92-2 | |
|---|---|---|
| Name: | 3-(Trifluoromethyl)benzoic acid | |
| Description: | ||
| Labels: | eval | |
| CAS: | 454-92-2 | |
| InChi Code: | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.132567149 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |