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: | 3319-31-1 | |
|---|---|---|
| Name: | Tris(2-ethylhexyl) trimellitate | |
| Description: | ||
| Labels: | training | |
| CAS: | 3319-31-1 | |
| InChi Code: | InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.054043853 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |