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:5353-25-3
Name:2-[(9Z)-Octadec-9-en-1-yloxy]ethanol
Description:
Labels:eval
CAS:5353-25-3
InChi Code:InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.011030617

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