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: | 111-69-3 | |
|---|---|---|
| Name: | Hexanedinitrile | |
| Description: | ||
| Labels: | training | |
| CAS: | 111-69-3 | |
| InChi Code: | InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.00377212 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |