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: | 2040-10-0 | |
|---|---|---|
| Name: | 4'-tert-Butyl-2',6'-dimethylacetophenone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2040-10-0 | |
| InChi Code: | InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.084051848 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |