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: | 85-69-8 | |
|---|---|---|
| Name: | Butyl 2-ethylhexyl phthalate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 85-69-8 | |
| InChi Code: | InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.068860618 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |