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: | 16491-24-0 | |
|---|---|---|
| Name: | 2,4-Hexadienyl isobutyrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 16491-24-0 | |
| InChi Code: | InChI=1S/C10H16O2/c1-4-5-6-7-8-12-10(11)9(2)3/h4-7,9H,8H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.001922026 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |