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: | 80-54-6 | |
|---|---|---|
| Name: | 3-(4-tert-Butylphenyl)-2-methylpropanal | |
| Description: | ||
| Labels: | training | |
| CAS: | 80-54-6 | |
| InChi Code: | InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.113818048 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |