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: | 1117-55-1 | |
|---|---|---|
| Name: | Hexyl octanoate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 1117-55-1 | |
| InChi Code: | InChI=1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.0008206 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |