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: | 219861-08-2 | |
|---|---|---|
| Name: | Escitalopram oxalate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 219861-08-2 | |
| InChi Code: | InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.066571542 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |