QSPR modeling of the logKow and logKoc of polymethoxylated, polyhydroxylated diphenyl ethers and methoxylated-, hydroxylated-polychlorinated diphenyl ethers.

Abstract

In the present study, the structural parameters of 209 types of polymethoxylated diphenyl ethers (PMeODEs), 209 types of polyhydroxylated diphenyl ethers (PHODEs), seven types of methoxylated-polychlorinated diphenyl ethers (MeO-PCDEs) and seven types of hydroxylated-polychlorinated diphenyl ethers (HO-PCDEs) were calculated using the Gaussian 09 program at… (More)
DOI: 10.1016/j.jhazmat.2018.03.043

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