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:	4940-11-8
	Name:	2-Ethyl-3-hydroxy-4H-pyran-4-one
	Description:
	Labels:	training
	CAS:	4940-11-8
	InChi Code:	InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.054371291	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)