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: | 56211-40-6 | |
|---|---|---|
| Name: | Torsemide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 56211-40-6 | |
| InChi Code: | InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.045133207 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |