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:27593-23-3
Name:6-Pentyl-2H-pyran-2-one
Description:
Labels:eval
CAS:27593-23-3
InChi Code:InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.04042045

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