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: | 54048-10-1 | |
|---|---|---|
| Name: | Etonogestrel | |
| Description: | ||
| Labels: | eval | |
| CAS: | 54048-10-1 | |
| InChi Code: | InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.272252165 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |