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:349495-42-7
Name:PharmaGSID_47263
Description:
Labels:training
CAS:349495-42-7
InChi Code:InChI=1S/C15H16N4O2/c1-3-19-14-13(9(2)18-19)17-12(8-16-15(14)21)10-4-6-11(20)7-5-10/h4-7,20H,3,8H2,1-2H3,(H,16,21)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.359630456

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