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: | 118-82-1 | |
|---|---|---|
| Name: | 4,4'-Methylenebis(2,6-di-t-butylphenol) | |
| Description: | ||
| Labels: | training | |
| CAS: | 118-82-1 | |
| InChi Code: | InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.198004479 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |