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:611-20-1
Name:2-Hydroxybenzonitrile
Description:
Labels:training
CAS:611-20-1
InChi Code:InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.037387589

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