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: | 81161-17-3 | |
|---|---|---|
| Name: | Esmolol hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 81161-17-3 | |
| InChi Code: | InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.111135148 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |