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:110-63-4
Name:1,4-Butanediol
Description:
Labels:training
CAS:110-63-4
InChi Code:InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.003069258

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