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: | 78587-05-0 | |
|---|---|---|
| Name: | Hexythiazox | |
| Description: | ||
| Labels: | training | |
| CAS: | 78587-05-0 | |
| InChi Code: | InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.409605914 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |