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:108-65-6
Name:1-Methoxy-2-propyl acetate
Description:
Labels:eval
CAS:108-65-6
InChi Code:InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
1

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)