10967/234 - QDB Compounds

QsarDB Repository

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:24817-51-4
Name:2-Phenylethyl 2-methylbutanoate
Description:
Labels:eval
CAS:24817-51-4
InChi Code:InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.036937065

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)