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:55934-93-5
Name:Tripropylene glycol butyl ether
Description:
Labels:training
CAS:55934-93-5
InChi Code:InChI=1S/C13H28O4/c1-5-8-9-15-13(7-3)17-11(4)10-16-12(14)6-2/h11-14H,5-10H2,1-4H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.0023346

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