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: | 732-26-3 | |
|---|---|---|
| Name: | 2,4,6-Tris(tert-butyl)phenol | |
| Description: | ||
| Labels: | training | |
| CAS: | 732-26-3 | |
| InChi Code: | InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.146634013 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |