Concentration versus Time Database (CvTdb) v2.0.0 Data Release

The Concentration versus Time Database (CvTdb) contains manually curated time-series data and associated metadata for in vivo toxicokinetic (“TK”) studies on organic chemicals available in the scientific literature. The database has been developed in close coordination with leading researchers at the EPA with specialties relating to toxicology and toxicokinetic modeling. These data inform chemical safety analysis and allow evaluation of the relationship between administered doses and internal concentrations of a substance. These data can also be used to build or evaluate physiologically based pharmacokinetic (PBPK) and physiologically-based (PBTK) models (such as the httk R package), which simulate the absorption, distribution, metabolism, and elimination of a chemical. The database also contains toxicokinetic parameters, including volume of distribution and elimination half-life, which are calculated across all data associated with a particular compound using the publicly available pharmacokinetic curve-fitting software invivoPKfit. This version 2.0.0 release builds upon the original v1.0.0 “legacy” database released with Sayre, Wambaugh, and Grulke (2020) and the minor v1.1.0 database release from 2021 that added the Showa Pharmaceutical University dataset. The code, documentation, and vignettes associated with the database release are available on GitHub (CompTox-PK-CvTdb; CvTdbLoad). The database is also available for download through the public CCTE EPA Clowder repository (no user account required).Sayre, R. R., Wambaugh, J. F. & Grulke, C. M. (2020). Database of pharmacokinetic time-series data and parameters for 144 environmental chemicals. Sci Data 7(122). https://doi.org/10.1038/s41597-020-0455-1.