#
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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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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Oct 1, 2026
Query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard" (Sinclair et al. 2022)
data chemistry cheminformatics wikipedia open-data wikipedia-api epa smiles wikipedia-scraper fair-data inchikey inchi-key comptox
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Feb 4, 2022 - Java
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