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: | 91-33-8 | |
|---|---|---|
| Name: | Benzthiazide | |
| Description: | ||
| Labels: | eval | |
| CAS: | 91-33-8 | |
| InChi Code: | InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.316656476 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |