High-Throughput Toxicokinetics Examples

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) () and Breen et al. (2021) (). 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) (), whenever a new HTTK model is developed, the code to generate the figures evaluating that model is added as a new vignettte.

R Package "httkexamples"

High throughput toxicokinetics ("HTTK") is the combination of in vitro data and generic mathematical models to predict absorption, distribution, metabolism, and excretion by the body, as decribed by Pearce et al. (2017) (doi:10.18637/jss.v079.i04) and Breen et al. (2021) (doi:10.1080/17425255.2021.1935867). 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.

Loading the httk walkthroughs ("vignettes")

• List all vignettes for httk

httk.vignettes()

• Displays the vignette for a specified vignette

vignette("IntroToHTTK")

Authors

Principal Investigator

John Wambaugh [John.Wambaugh@UL.org]

Vignette Authors

Robert Pearce, Caroline Ring [Ring.Caroline@epa.gov], Greg Honda [honda.gregory@epa.gov], Matt Linakis [MLINAKIS@ramboll.com], Dustin Kapraun [kapraun.dustin@epa.gov], Kimberly Truong [truong.kimberly@epa.gov], Annabel Meade [aemeade7@gmail.com], Celia Schacht [Schacht.Celia@epa.gov], and Elaina Kenyon