Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2023.

Compound

	ID:	e2925
	Name:	3-Methyl-2-pentanone
	Description:
	Labels:
	CAS:	565-61-7
	InChi Code:	InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

Properties

er_ant: Activity in ER antagonist pathway

Value	Source or prediction
inactive	experimental value
inactive	Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set)