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:	e6273
	Name:	2,2',2''-[Methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane
	Description:
	Labels:
	CAS:	66072-38-6
	InChi Code:	InChI=1S/C28H28O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-12,25-28H,13-18H2

Properties

er_ago: Activity in ER agonist pathway

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