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: | 3681-71-8 | |
|---|---|---|
| Name: | (3Z)-3-Hexenyl acetate | |
| Description: | ||
| Labels: | training | |
| CAS: | 3681-71-8 | |
| InChi Code: | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4- |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001973919 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |