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Characterization of lipophilicity and blood partitioning of pyrrolizidine alkaloids and their N-oxides in vitro and in silico for toxicokinetic modeling

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Lipophilicity and blood partitioning are important determinants for predicting toxicokinetics using physiologically-based toxicokinetic (PBTK) modeling. In this study, the logarithm of the n-octanol:water partition coefficient (logP) and the blood-to-plasma co... ...