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:	e4370
	Name:	3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
	Description:
	Labels:
	CAS:	3737-41-5
	InChi Code:	InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2

Properties

er_ant: Activity in ER antagonist pathway

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

er_bin: Binding activity in estrogen receptor

Value	Source or prediction
binder	experimental value
inactive	Tab3.binders: Model for binding in ER (Evaluation set)