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: | 53-21-4 | |
|---|---|---|
| Name: | (-)-Cocaine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 53-21-4 | |
| InChi Code: | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.255212101 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |