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: | 519-09-5 | |
|---|---|---|
| Name: | Benzoylecgonine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 519-09-5 | |
| InChi Code: | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.185048809 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |