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).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "John Wambaugh",
"hasEmail": "mailto:wambaugh.john@epa.gov"
}
|
| description | 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). |
| distribution |
[
{
"title": "https://cran.r-project.org/web/packages/httk/index.html",
"accessURL": "https://cran.r-project.org/web/packages/httk/index.html"
}
]
|
| identifier | https://doi.org/10.23719/1390268 |
| keyword |
[
"ExpoCast",
"PBPK-reverse dosimetry",
"ToxCast",
"exposure",
"high throughput toxicokinetics",
"httk",
"in vitro in vivo extrapolation",
"pbtk",
"physiologically-based pharmacokinetic model",
"r package"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2017-03-03 |
| programCode |
[
"020:095"
]
|
| publisher |
{
"name": "U.S. EPA Office of Research and Development (ORD)",
"subOrganizationOf": {
"name": "U.S. Environmental Protection Agency",
"subOrganizationOf": {
"name": "U.S. Government"
}
}
}
|
| references |
[
"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",
"https://doi.org/10.1016/j.envint.2017.06.004",
"https://www.sciencedirect.com/science/article/pii/S0160412017301204?via%3Dihub"
]
|
| rights |
null
|
| title | HTTK R Package v1.5 - Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability |
