Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.

Compound

	ID:	e7112
	Name:	Rosuvastatin calcium
	Description:
	Labels:
	CAS:	147098-20-2
	InChi Code:	InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+

Properties

er_ant: Activity in ER antagonist pathway

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