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: | 145-39-1 | |
|---|---|---|
| Name: | 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 145-39-1 | |
| InChi Code: | InChI=1S/C13H18N2O4/c1-7-8(2)11(14(16)17)10(13(4,5)6)12(9(7)3)15(18)19/h1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.01571807 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |