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:5684-90-2
Name:Penthrichloral
Description:
Labels:eval
CAS:5684-90-2
InChi Code:InChI=1S/C7H11Cl3O4/c8-7(9,10)5-13-3-6(1-11,2-12)4-14-5/h5,11-12H,1-4H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.063257905

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