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: | 6422-86-2 | |
|---|---|---|
| Name: | Bis(2-ethylhexyl) terephthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 6422-86-2 | |
| InChi Code: | InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.038159932 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |