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    • A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening

    Metadata Updated: November 12, 2020

    This data includes metabolite predictions for in vitro inactive chemicals, predictions of those metabolite's estrogen receptor binding activity, in vitro and in silico information regarding parent compound binding activities, linking of metabolite structures and routes to parent compounds, and estimates of binding activity obtained from literature when possible.

    This dataset is associated with the following publication: Leonard, J., C. Stevens, K. Mansouri, D. Chang, H. Pudukodu, S. Smith, and C. Tan. A Workflow for Identifying Metabolically Active Chemicals to Complement in vitro Toxicity Screening. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 6: 71-83, (2018).

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    References

    https://doi.org/10.1016/j.comtox.2017.10.003

    Dates

    Metadata Created Date November 12, 2020
    Metadata Updated Date November 12, 2020

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date November 12, 2020
    Metadata Updated Date November 12, 2020
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier https://doi.org/10.23719/1407568
    Data Last Modified 2017-06-25
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Harvest Object Id 3bc7bc80-8835-4f8a-87f1-cbfc04ea5b7a
    Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
    Harvest Source Title EPA ScienceHub
    License https://pasteur.epa.gov/license/sciencehub-license.html
    Program Code 020:095
    Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
    Related Documents https://doi.org/10.1016/j.comtox.2017.10.003
    Source Datajson Identifier True
    Source Hash f9672427048a91aabda34ced0b37995fb10398d5
    Source Schema Version 1.1

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