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: | 103-24-2 | |
|---|---|---|
| Name: | Bis(2-ethylhexyl) nonanedioate | |
| Description: | ||
| Labels: | training | |
| CAS: | 103-24-2 | |
| InChi Code: | InChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005032685 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |