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: | 590-63-6 | |
|---|---|---|
| Name: | Bethanechol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 590-63-6 | |
| InChi Code: | InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004840605 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |