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:551-06-4
Name:alpha-Naphylisothiocyanate
Description:
Labels:eval
CAS:551-06-4
InChi Code:InChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value
0.084115529

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