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: | 2105-43-3 | |
|---|---|---|
| Name: | Fursultiamine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2105-43-3 | |
| InChi Code: | InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.015111414 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |