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    • Parent phototransformation and product formation rates from internal and external evaluation datasets

    Metadata Updated: May 29, 2021

    Tables S1 and S2 provide photolysis transformation rate data compiled from the scientific literature and EFSA reports, respectively. Table S3 provides rank assignments for each transformation scheme in the CTS reaction library for direct photolysis. The Documentation sheet provides SMILES strings for example parent molecules and reported photolysis transformation products.

    This dataset is associated with the following publication: Yuan, C., C. Stevens, and E. Weber. Prioritizing Direct Photolysis Products Predicted by the Chemical Transformation Simulator: Relative Reasoning and Absolute Ranking. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, online, (2021).

    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/10.1021/acs.est.0c08745

    Dates

    Metadata Created Date May 29, 2021
    Metadata Updated Date May 29, 2021

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date May 29, 2021
    Metadata Updated Date May 29, 2021
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier https://doi.org/10.23719/1520579
    Data Last Modified 2021-04-01
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Harvest Object Id 3b7db20d-4b4c-4bf0-9d41-14e87fe68f18
    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/10.1021/acs.est.0c08745
    Source Datajson Identifier True
    Source Hash adcde296697b3368f9becaf6422e1312b17ee1e5
    Source Schema Version 1.1

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