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:	141-79-7
	Name:	4-Methylpent-3-en-2-one
	Description:
	Labels:	training
	CAS:	141-79-7
	InChi Code:	InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

Properties

bindingClass: Androgen Receptor Binding Class

Value	Source or prediction
0	experimental value
0.002233393	Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)