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: | 2338-76-3 | |
|---|---|---|
| Name: | [3-(Trifluoromethyl)phenyl]acetonitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2338-76-3 | |
| InChi Code: | InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.340277816 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |