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:959-98-8
Name:Endosulfan I
Description:
Labels:training
CAS:959-98-8
InChi Code:InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.134462572

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