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:493-52-7
Name:Methyl red
Description:
Labels:training
CAS:493-52-7
InChi Code:InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.078098269

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