HTTK R Package v1.5 - Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability

httk: High-Throughput Toxicokinetics

Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from relatively high throughput, in vitro studies. Both physiologically-based ("PBTK") and empirical (e.g., one compartment) "TK" models can be parameterized for several hundred chemicals and multiple species. These models are solved efficiently, often using compiled (C-based) code. A Monte Carlo sampler is included for simulating biological variability and measurement limitations. Functions are also provided for exporting "PBTK" models to "SBML" and "JARNAC" for use with other simulation software. These functions and data provide a set of tools for in vitro-in vivo extrapolation ("IVIVE") of high throughput screening data (e.g., ToxCast) to real-world exposures via reverse dosimetry (also known as "RTK").

This dataset is associated with the following publication: Ring, C., R. Pearce, W. Setzer, B. Wetmore, and J. Wambaugh. (Environment International) Refining high-throughput prioritization of environmental chemicals to include inter-individual variability across subpopulations. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, USA, 106: 105-118, (2017).

Data and Resources

Field Value
accessLevel public
bureauCode {020:00}
catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
identifier https://doi.org/10.23719/1390268
license https://pasteur.epa.gov/license/sciencehub-license.html
modified 2017-03-03
programCode {020:095}
publisher U.S. EPA Office of Research and Development (ORD)
publisher_hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
references {https://doi.org/10.1016/j.envint.2017.06.004,https://www.sciencedirect.com/science/article/pii/S0160412017301204?via%3Dihub,https://ars.els-cdn.com/content/image/1-s2.0-S0160412017301204-mmc1.xlsx,https://ars.els-cdn.com/content/image/1-s2.0-S0160412017301204-mmc2.docx}
resource-type Dataset
source_datajson_identifier true
source_hash d3bd0878196749e0dac1510e6734f6c7b5013a2b
source_schema_version 1.1
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • amerigeo
  • amerigeoss
  • ckan
  • expocast
  • exposure
  • geo
  • geoss
  • high-throughput-toxicokinetics
  • httk
  • in-vitro-in-vivo-extrapolation
  • national
  • north-america
  • pbpk-reverse-dosimetry
  • pbtk
  • physiologically-based-pharmacokinetic-model
  • r-package
  • toxcast
  • united-states
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer John Wambaugh
maintainer_email wambaugh.john@epa.gov
metadata_created 2025-11-22T13:30:50.889811
metadata_modified 2025-11-22T13:30:50.889816
notes httk: High-Throughput Toxicokinetics Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") using data obtained from relatively high throughput, in vitro studies. Both physiologically-based ("PBTK") and empirical (e.g., one compartment) "TK" models can be parameterized for several hundred chemicals and multiple species. These models are solved efficiently, often using compiled (C-based) code. A Monte Carlo sampler is included for simulating biological variability and measurement limitations. Functions are also provided for exporting "PBTK" models to "SBML" and "JARNAC" for use with other simulation software. These functions and data provide a set of tools for in vitro-in vivo extrapolation ("IVIVE") of high throughput screening data (e.g., ToxCast) to real-world exposures via reverse dosimetry (also known as "RTK"). This dataset is associated with the following publication: Ring, C., R. Pearce, W. Setzer, B. Wetmore, and J. Wambaugh. (Environment International) Refining high-throughput prioritization of environmental chemicals to include inter-individual variability across subpopulations. ENVIRONMENT INTERNATIONAL. Elsevier Science Ltd, New York, NY, USA, 106: 105-118, (2017).
num_resources 1
num_tags 18
title HTTK R Package v1.5 - Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability