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:111-77-3
Name:Diethylene glycol monomethyl ether
Description:
Labels:training
CAS:111-77-3
InChi Code:InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.005485316

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