10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:123-66-0
Name:Ethyl hexanoate
Description:
Labels:training
CAS:123-66-0
InChi Code:InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value
0

Procedure_13: Multivariate Logistic Regression Model (Training set)