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: | 346-18-9 | |
|---|---|---|
| Name: | Polythiazide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 346-18-9 | |
| InChi Code: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.219826292 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |