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: | 33159-27-2 | |
|---|---|---|
| Name: | Ecabet | |
| Description: | ||
| Labels: | eval | |
| CAS: | 33159-27-2 | |
| InChi Code: | InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.133855412 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |