#
comptox
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The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in vitro (animal free) measurements. The predictions can be used for traditional dosimetry as well as in vivo-in vitro extrapolation (IVIVE). This repository is for reporting bugs and contributing enhancements.
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Updated
Apr 28, 2026 - R
Umbrella repo for the ToxMCP Suite (docs, links, quickstart).
chemistry toxicology cheminformatics mcp chemical safety aop risk-assessment ssdb exposure qsar woe pbpk regulatory ngra comptox auditability oecd-test-guidelines
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Updated
Nov 4, 2026