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: | 17560-51-9 | |
|---|---|---|
| Name: | Metolazone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 17560-51-9 | |
| InChi Code: | InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.413528908 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |