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: | 23239-51-2 | |
|---|---|---|
| Name: | Ritodrine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 23239-51-2 | |
| InChi Code: | InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.259401948 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |