[HTML][HTML] Effective exposure of chemicals in in vitro cell systems: A review of chemical distribution models

S Proença, BI Escher, FC Fischer, C Fisher, S Grégoire… - Toxicology in Vitro, 2021 - Elsevier
Nominal effect concentrations from in vitro toxicity assays may lead to inaccurate estimations
of in vivo toxic doses because the nominal concentration poorly reflects the concentration at …

The role of drug metabolizing enzymes in clearance

L Di - Expert opinion on drug metabolism & toxicology, 2014 - Taylor & Francis
Introduction: Metabolism is one of the most important clearance pathways representing the
major clearance route of 75% drugs. The four most common drug metabolizing enzymes …

Applied concepts in PBPK modeling: how to build a PBPK/PD model

L Kuepfer, C Niederalt, T Wendl… - CPT …, 2016 - Wiley Online Library
The aim of this tutorial is to introduce the fundamental concepts of physiologically based
pharmacokinetic/pharmacodynamic (PBPK/PD) modeling with a special focus on their …

[HTML][HTML] httk: R package for high-throughput toxicokinetics

RG Pearce, RW Setzer, CL Strope… - Journal of statistical …, 2017 - ncbi.nlm.nih.gov
Thousands of chemicals have been profiled by high-throughput screening programs such as
ToxCast and Tox21; these chemicals are tested in part because most of them have limited or …

Incorporating High-Throughput Exposure Predictions With Dosimetry-Adjusted In Vitro Bioactivity to Inform Chemical Toxicity Testing

BA Wetmore, JF Wambaugh, B Allen… - Toxicological …, 2015 - academic.oup.com
We previously integrated dosimetry and exposure with high-throughput screening (HTS) to
enhance the utility of ToxCast HTS data by translating in vitro bioactivity concentrations to …

An intuitive approach for predicting potential human health risk with the Tox21 10k library

NS Sipes, JF Wambaugh, R Pearce… - … science & technology, 2017 - ACS Publications
In vitro–in vivo extrapolation (IVIVE) analyses translating high-throughput screening (HTS)
data to human relevance have been limited. This study represents the first report applying …

Dose metric considerations in in vitro assays to improve quantitative in vitro–in vivo dose extrapolations

FA Groothuis, MB Heringa, B Nicol, JLM Hermens… - Toxicology, 2015 - Elsevier
Challenges to improve toxicological risk assessment to meet the demands of the EU
chemical's legislation, REACH, and the EU 7th Amendment of the Cosmetics Directive have …

Estimating human ADME properties, pharmacokinetic parameters and likely clinical dose in drug discovery

AJ Lucas, JL Sproston, P Barton… - Expert opinion on drug …, 2019 - Taylor & Francis
Introduction: Prediction of human absorption, distribution, metabolism, and excretion
(ADME) properties, therapeutic dose and exposure has become an integral part of …

Clearance prediction methodology needs fundamental improvement: trends common to rat and human hepatocytes/microsomes and implications for experimental …

FL Wood, JB Houston, D Hallifax - Drug Metabolism and Disposition, 2017 - ASPET
Although prediction of clearance using hepatocytes and liver microsomes has long played a
decisive role in drug discovery, it is widely acknowledged that reliably accurate prediction is …

High-throughput PBTK models for in vitro to in vivo extrapolation

M Breen, CL Ring, A Kreutz, MR Goldsmith… - Expert opinion on …, 2021 - Taylor & Francis
Introduction Toxicity data are unavailable for many thousands of chemicals in commerce
and the environment. Therefore, risk assessors need to rapidly screen these chemicals for …