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:1897-52-5
Name:2,6-Difluorobenzonitrile
Description:
Labels:eval
CAS:1897-52-5
InChi Code:InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.033212992

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