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

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.