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:16323-43-6
Name:3,3'-(1,4-Phenylene)bis-2-propenoic acid
Description:
Labels:eval
CAS:16323-43-6
InChi Code:InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.045722315

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