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. 2022 May 9;114(16):1037–1055. doi: 10.1002/bdr2.2019

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Published 2022. This article is a U.S. Government work and is in the public domain in the USA. Birth Defects Research published by Wiley Periodicals LLC.

This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc-nd/4.0/ License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non‐commercial and no modifications or adaptations are made.

PMC Copyright notice

Structures of pharmacokinetic (PK) models used for in vivo to in vitro extrapolation analyses. (a) The population‐based pharmacokinetic model is a one‐compartment, open‐source population‐based PK model. (b) The httk.PBTK model is a generalized PBTK model provided in the Environmental Protection Agency (EPA) httk R package. (c) The httk.fPBTK model is a human pregnancy specific PBTK model provided in the EPA httk R package. Adapted from Sfeir et al. (2020). (d) A human pregnancy physiologically based pharmacokinetic model included in GastroPlus software. Expressions such as “Q_liver”, “Q_kidney”, represent the blood flow rate in liters/hr (L/h) into and through that tissue. CL_Hepatic, hepatic clearance (L/h); CL_int, intrinsic hepatic clearance (L/h); CL_Renal, renal clearance (L/h); GFR, glomerular filtration rate (L/h); PBTK, physiologically based toxicokinetic; Q^f, fetal tissue blood flow; Q^m, maternal tissue blood flow; V, tissue volume.