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:173584-44-6
Name:Indoxacarb
Description:
Labels:training
CAS:173584-44-6
InChi Code:InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.442284172

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