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: | 16251-77-7 | |
|---|---|---|
| Name: | 3-Phenylbutyraldehyde | |
| Description: | ||
| Labels: | eval | |
| CAS: | 16251-77-7 | |
| InChi Code: | InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.043786681 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |