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:600-25-9
Name:1-Chloro-1-nitropropane
Description:
Labels:eval
CAS:600-25-9
InChi Code:InChI=1S/C3H6ClNO2/c1-2-3(4)5(6)7/h3H,2H2,1H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)