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: | 94-46-2 | |
|---|---|---|
| Name: | Isopentyl benzoate | |
| Description: | ||
| Labels: | training | |
| CAS: | 94-46-2 | |
| InChi Code: | InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.010620176 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |