High-Throughput Toxicokinetics Examples
Abraham et al. 2024 Abraham et al. (2024) (tools:::Rd_expr_doi("10.101...
Aylward et al. 2014
Concentration data involved in Linakis 2020 vignette analysis.
Non-volatile chemicals with ToxCast data Meade et al. (submitted) perf...
Chemicals with ToxCast data for Meade et al. (submitted) chemicals Mea...
Toxicokinetic concentration vs. time (CvT) data for Meade et al. (subm...
Dimitrijevic et al. (2022)In Vitro Cellular and Nominal Concentration
Fetal Partition Coefficients
Literature In Vivo Data on Doses Causing Neurological Effects
Howgate et al. (2006)
httkexamples: High-Throughput Toxicokinetics Examples
Huh et al. 2011 Huh et al. (2011) (tools:::Rd_expr_doi("10.3109/004982...
Johnson et al. (2006)
Simulation outputs from Meade et al. (submitted) Meade et al. (submitt...
Metabolism data involved in Linakis et al. 2020 (tools:::Rd_expr_doi("...
Published Pharmacokinetic Parameters from Obach et al. 2008
NHANES Exposure Data
Partition Coefficient Data
DRUGS|NORMAN: Pharmaceutical List with EU, Swiss, US Consumption Data
Partition Coefficients from PK-Sim
AUCs for Pregnant and Non-Pregnant Women
Literature Measurements of In Vitro Cellular and Nominal Concentration
Supplementary output from Linakis 2020 vignette analysis.
More supplementary output from Linakis 2020 vignette analysis.
ToxCast thyroid-related bioactivity data
SEEM3 Example Data for Truong et al. 2025
Wallis et al. 2023 Wallis et al. (2023) (tools:::Rd_expr_doi("10.1021/...
NHANES Chemical Intake Rates for chemicals in Wambaugh et al. (2019)
Raw Bayesian in vitro Toxicokinetic Data Analysis from Wambaugh et al....
ExpoCast SEEM3 Consensus Exposure Model Predictions for Chemical Intak...
Tox21 2015 Active Hit Calls (EPA)
Wang et al. 2018 Wang et al. (2018) screened the blood of 75 pregnant ...
Published toxicokinetic predictions based on in vitro data from Wetmor...
High throughput toxicokinetics ("HTTK") is the combination of 1) chemical-specific in vitro measurements or in silico predictions and 2) generic mathematical models, to predict absorption, distribution, metabolism, and excretion by the body. HTTK methods have been described by Pearce et al. (2017) (<doi:10.18637/jss.v079.i04>) and Breen et al. (2021) (<doi:10.1080/17425255.2021.1935867>). Here we provide examples (vignettes) applying HTTK to solve various problems in bioinformatics, toxicology, and exposure science. In accordance with Davidson-Fritz et al. (2025) (<doi:10.1371/journal.pone.0321321>), whenever a new HTTK model is developed, the code to generate the figures evaluating that model is added as a new vignettte.