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: | 6789-88-4 | |
|---|---|---|
| Name: | Hexyl benzoate | |
| Description: | ||
| Labels: | training | |
| CAS: | 6789-88-4 | |
| InChi Code: | InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.014883792 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |