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: | 127-41-3 | |
|---|---|---|
| Name: | alpha-Ionone | |
| Description: | ||
| Labels: | training | |
| CAS: | 127-41-3 | |
| InChi Code: | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.120726743 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |