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:94-59-7
Name:Safrole
Description:
Labels:training
CAS:94-59-7
InChi Code:InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.040155837

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