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Capabilities and Evaluation of the US EPA’s HTTK (High Throughput Toxicokinetics) R package
Citation:
Wambaugh, J. Capabilities and Evaluation of the US EPA’s HTTK (High Throughput Toxicokinetics) R package. Presented at International Society of Exposure Science Annual Meeting, Morrisville, NC, October 15 - 19, 2017.
Impact/Purpose:
This is the fourth part of a continuing education course offered as part of the International Society of Exposure Science Annual meeting. The course is entitled “Using US EPA’s Chemical Safety for Sustainability’s CompTox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses."
Description:
Toxicokinetics (TK) provides a bridge between toxicity and exposure assessment by predicting tissue concentrations due to exposure, however traditional TK methods are resource intensive. Relatively high throughput TK (HTTK) methods have been used by the pharmaceutical industry to determine range of efficacious doses and to prospectively evaluate success of planned clinical trials (Jamei, et al., 2009; Wang, 2010). A key application of HTTK has been “reverse dosimetry” (also called Reverse TK or RTK). RTK can approximately convert in vitro HTS results to daily doses needed to produce similar levels in a human for comparison to exposure data (starting off with Rotroff, et al., 2010). A new EPA open source R package (“httk”) is freely available on CRAN allows RTK and other statistical analyses of 553 chemicals.