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:2310-17-0
Name:Phosalone
Description:
Labels:training
CAS:2310-17-0
InChi Code:InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.30265358

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