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: | 50505-93-6 | |
|---|---|---|
| Name: | S-(+)-2,5-Dimethoxy-4-bromoamphetamine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 50505-93-6 | |
| InChi Code: | InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.032789222 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |