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: | 83-75-0 | |
|---|---|---|
| Name: | Quinine ethyl carbonate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 83-75-0 | |
| InChi Code: | InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.346601163 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |