Abstract
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 differential chemical distribution across chemicals, species, doses, or routes, and for meta-analyses on pharmacokinetic studies.
Highlights
Background & SummaryWhen assessing chemical risk, the U.S National Research Council has delineated two aspects that must be considered: toxicological hazard and exposure[1]
Toxicological hazard may be conceptualized as the dose needed to cause an adverse effect, while exposure can involve the chance of occurrence, duration, route, and aggregate dose received
Detailed information on test animal species can be helpful, since there is uncertainty determining the relevance of an internal dose found in an animal TK study to humans, due to the higher doses generally used in this type of testing and other factors[6]
Summary
Background & SummaryWhen assessing chemical risk, the U.S National Research Council has delineated two aspects that must be considered: toxicological hazard and exposure[1]. 549 publications that included names of higher-priority chemicals from the TSCA Work Plan were manually reviewed, but only 4% (22 articles) contained usable concentration vs time results (true positives, or TP), which made it clear that filtering by keyword search was insufficiently precise to efficiently identify relevant papers.
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