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: | 142-16-5 | |
|---|---|---|
| Name: | Bis(2-ethylhexyl) maleate | |
| Description: | ||
| Labels: | training | |
| CAS: | 142-16-5 | |
| InChi Code: | InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13- |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005273741 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |