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: | 112733-06-9 | |
|---|---|---|
| Name: | Zenarestat | |
| Description: | ||
| Labels: | training | |
| CAS: | 112733-06-9 | |
| InChi Code: | InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.4074916 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |