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: | 2607-31-0 | |
|---|---|---|
| Name: | Halethazole hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2607-31-0 | |
| InChi Code: | InChI=1S/C19H21ClN2OS/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19/h5-10,13H,3-4,11-12H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.255367121 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |