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:7747-35-5
Name:5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
Description:
Labels:training
CAS:7747-35-5
InChi Code:InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.02924169

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