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:513-85-9
Name:2,3-Butanediol
Description:
Labels:eval
CAS:513-85-9
InChi Code:InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.00138032

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