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:60-57-1
Name:Dieldrin
Description:
Labels:training
CAS:60-57-1
InChi Code:InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.204223746

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