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

Compound

	ID:	e2095
	Name:	Dihydrostreptomycin sulfate
	Description:
	Labels:
	CAS:	5490-27-7
	InChi Code:	InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)

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)