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: | 36443-68-2 | |
|---|---|---|
| Name: | Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 36443-68-2 | |
| InChi Code: | InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.112906357 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |