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:102268-15-5
Name:5-Ethyl-2,3-pyridinedicarboxylic acid
Description:
Labels:eval
CAS:102268-15-5
InChi Code:InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.027703228

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