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:122-82-7
Name:N-(4-Ethoxyphenyl)-3-oxobutanamide
Description:
Labels:eval
CAS:122-82-7
InChi Code:InChI=1S/C12H15NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.025813017

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