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: | 90-87-9 | |
|---|---|---|
| Name: | 2-Phenylpropionaldehyde dimethyl acetal | |
| Description: | ||
| Labels: | eval | |
| CAS: | 90-87-9 | |
| InChi Code: | InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.04216182 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |