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:89796-99-6
Name:Aceclofenac
Description:
Labels:eval
CAS:89796-99-6
InChi Code:InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.247187211

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