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:96-98-0
Name:4-Methyl-3-nitrobenzoic acid
Description:
Labels:eval
CAS:96-98-0
InChi Code:InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.06052644

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