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

Compound

	ID:	e6448
	Name:	Ditridecyl phthalate (mixture of branched chain isomers)
	Description:
	Labels:
	CAS:	75359-31-8
	InChi Code:	InChI=1S/C34H58O4/c1-23(2)15-25(5)17-27(7)19-29(9)21-37-33(35)31-13-11-12-14-32(31)34(36)38-22-30(10)20-28(8)18-26(6)16-24(3)4/h11-14,23-30H,15-22H2,1-10H3

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)