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: | 5146-66-7 | |
|---|---|---|
| Name: | 3,7-Dimethyl-2,6-octadienenitrile | |
| Description: | ||
| Labels: | training | |
| CAS: | 5146-66-7 | |
| InChi Code: | InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002638294 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |