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: | 20665-85-4 | |
|---|---|---|
| Name: | Vanillin isobutyrate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 20665-85-4 | |
| InChi Code: | InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.093012917 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |