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:NOCAS_47292
Name:PD 0200347
Description:
Labels:training
CAS:
InChi Code:InChI=1S/C10H17N3O2/c11-7-10(4-2-1-3-5-10)6-8-12-9(14)15-13-8/h1-7,11H2,(H,12,13,14)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.051656865

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