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: | 616-96-6 | |
|---|---|---|
| Name: | Dicethiamine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 616-96-6 | |
| InChi Code: | InChI=1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.031022973 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |