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:5437-98-9
Name:N-(4-Methoxyphenyl)-3-oxobutanamide
Description:
Labels:eval
CAS:5437-98-9
InChi Code:InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.031688515

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