Comparison of physiologically based pharmacokinetic modeling platforms for developmental neurotoxicity in vitro to in vivo extrapolation

This study describes an in vitro to in vivo extrapolation (IVIVE) approach
to derive human-relevant administered equivalent doses based on chemical
partitioning into developmental neurotoxicity (DNT) target organs during
the critical period of brain development. Three physiologically
based pharmacokinetic (PBPK) modeling platforms were evaluated for their
suitability for this DNT-IVIVE approach. This dataset includes the model
code for the two open-source platforms used for this approach- the U.S.
EPA's R package, httk, and PK-Sim from Open Systems Pharmacology.

本研究描述了一种体外-体内外推（in vitro to in vivo extrapolation, IVIVE）方法，可基于化学物在脑发育关键时期向发育神经毒性（developmental neurotoxicity, DNT）靶器官的分配行为，推导适用于人类的给药等效剂量。本研究评估了三款生理药代动力学（physiologically based pharmacokinetic, PBPK）建模平台对该DNT-IVIVE方法的适配性。本数据集包含了本研究采用的两款开源平台的模型代码：分别为美国环境保护署（U.S. EPA）开发的R包httk，以及开放系统药理学（Open Systems Pharmacology）推出的PK-Sim。