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: | 94-44-0 | |
|---|---|---|
| Name: | Benzyl nicotinate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 94-44-0 | |
| InChi Code: | InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.08545726 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |