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:335104-84-2
Name:Tembotrione
Description:
Labels:eval
CAS:335104-84-2
InChi Code:InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.130491575

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