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:594-71-8
Name:2-Chloro-2-nitropropane
Description:
Labels:eval
CAS:594-71-8
InChi Code:InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.011478117

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