Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals

Sayre, Risa R.; Wambaugh, John F.; Grulke, Christopher M.

doi:10.1038/s41597-020-0455-1

Title: Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals

Journal Article · Mon Apr 20 00:00:00 EDT 2020 · Scientific Data

DOI:https://doi.org/10.1038/s41597-020-0455-1· OSTI ID:1624280

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US Environmental Protection Agency (EPA), Research Triangle Park, NC (United States); Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States); Univ. of North Carolina, Chapel Hill, NC (United States). Dept. of Environmental Sciences and Engineering
US Environmental Protection Agency (EPA), Research Triangle Park, NC (United States)

Time courses of compound concentrations in plasma are used in chemical safety analysis to evaluate the relationship between external administered doses and internal tissue exposures. This type of experimental data is rarely available for the thousands of non-pharmaceutical chemicals to which people may potentially be unknowingly exposed but is necessary to properly assess the risk of such exposures. In vitro assays and in silico models are often used to craft an understanding of a chemical’s pharmacokinetics; however, the certainty of the quantitative application of these estimates for chemical safety evaluations cannot be determined without in vivo data for external validation. To address this need, we present a public database of chemical time-series concentration data from 567 studies in humans or test animals for 144 environmentally-relevant chemicals and their metabolites (187 analytes total). All major administration routes are incorporated, with concentrations measured in blood/plasma, tissues, and excreta. We also include calculated pharmacokinetic parameters for some studies, and a bibliography of additional source documents to support future extraction of time-series. In addition to pharmacokinetic model calibration and validation, these data may be used for analyses of diferential chemical distribution across chemicals, species, doses, or routes, and for meta-analyses on pharmacokinetic studies.

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Research Organization:: Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0014664

OSTI ID:: 1624280

Journal Information:: Scientific Data, Vol. 7, Issue 1; ISSN 2052-4463

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Current Strategies in Assessment of Nanotoxicity: Alternatives to In Vivo Animal Testing Huang, Hung-Jin; Lee, Yu-Hsuan; Hsu, Yung-Ho International Journal of Molecular Sciences, Vol. 22, Issue 8 https://doi.org/10.3390/ijms22084216	journal	April 2021

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Metadata record for: Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals Team, Scientific Data Curation https://doi.org/10.6084/m9.figshare.12000141 The current record is supplemented by this dataset	dataset	January 2020
Metadata record for: Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals Team, Scientific Data Curation https://doi.org/10.6084/m9.figshare.12000141.v1 The current record is supplemented by this dataset	dataset	January 2020
Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals Toxicology, EPA's National Center For Computational https://doi.org/10.23645/epacomptox.9879731.v1 The current record is supplemented by this dataset	dataset	January 2019
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