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: | 393-75-9 | |
|---|---|---|
| Name: | 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 393-75-9 | |
| InChi Code: | InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.14828746 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |