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: | 5486-03-3 | |
|---|---|---|
| Name: | Buquinolate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 5486-03-3 | |
| InChi Code: | InChI=1S/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.027008616 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |