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:117-39-5
Name:Quercetin
Description:
Labels:training
CAS:117-39-5
InChi Code:InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.382811555

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