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: | 529-19-1 | |
|---|---|---|
| Name: | 2-Tolunitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 529-19-1 | |
| InChi Code: | InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.036391712 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |