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:28940-11-6
Name:7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
Description:
Labels:eval
CAS:28940-11-6
InChi Code:InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.118976875

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