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    • Metadata Files for Structure-based QSAR models to predict repeat dose toxicity points of departure

    Metadata Updated: March 29, 2021

    This paper describes a model to take chemical structures and predict a property (the point of departure) for a new chemical. No new data were generated. The contents of this zip file contains metadata that you could use to make a model prediction. It does contain all of the code and a help file describing how to run the model.

    This dataset is associated with the following publication: Pradeep, P., K. Paul-Friedman, and R. Judson. Structure-based QSAR Models to Predict Repeat Dose Toxicity Points of Departure. Computational Toxicology. Elsevier B.V., Amsterdam, NETHERLANDS, 16(November 2020): 100139, (2020).

    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.2020.100139

    Dates

    Metadata Created Date March 29, 2021
    Metadata Updated Date March 29, 2021

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date March 29, 2021
    Metadata Updated Date March 29, 2021
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier https://doi.org/10.23719/1520778
    Data Last Modified 2020-09-24
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Harvest Object Id 269a94eb-c4f1-4585-87bf-19befeceed5a
    Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
    Harvest Source Title EPA ScienceHub
    License https://pasteur.epa.gov/license/sciencehub-license-non-epa-generated.html
    Program Code 020:000
    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.2020.100139
    Source Datajson Identifier True
    Source Hash f25ae75724ffa058a560f406361542e003e437ce
    Source Schema Version 1.1

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