10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:91-15-6
Name:1,2-Benzenedicarbonitrile
Description:
Labels:eval
CAS:91-15-6
InChi Code:InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)