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:13410-86-1
Name:Aconiazide
Description:
Labels:eval
CAS:13410-86-1
InChi Code:InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-8H,9-10H2,(H,19,20)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.025316242

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