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: | 27589-33-9 | |
|---|---|---|
| Name: | Azosemide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 27589-33-9 | |
| InChi Code: | InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.203692653 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |