US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tools/toxicity-forecasting-toxcast
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May 14, 2025 - R
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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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May 14, 2025 - R
US EPA's ctxR: Utilities for Interacting with the CTX APIs in R without prior API knowledge https://www.epa.gov/comptox-tools/computational-toxicology-and-exposure-apis
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Apr 17, 2025 - R
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
49k chemicals categorized by usage or function in 16k consumer products (e.g. shampoo, soap)
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Mar 18, 2025 - Python
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