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:96568-04-6
Name:Ethyl 4-(2,6-dichloro-5-fluoropyridin-3-yl)-3-oxobutanoate
Description:
Labels:eval
CAS:96568-04-6
InChi Code:InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.05429649

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