Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Skip to content
  • Feedback

    • Designing QSARs for parameters of high throughput toxicokinetic models using open-source descriptors

    Metadata Updated: August 14, 2022

    The MS Excel file (Dawson et al S2 Supporting information.xlsx) contains multiple sheets containing the training sets, test sets, and predictions for intrinsic metabolic clearance (Clint), fraction unbound in plasma (fup), and bioactivity-exposure ratios (BER), for ToxCast and pharmaceutical-like chemicals. The Word file (Dawson et al S1 Supporting Information.docx) provides additional supporting information on assembly of the training and test sets for Clint, fup, and BER. The data dictionary describes the terms used in the supporting information, S1 and S2.

    This dataset is associated with the following publication: Dawson, D., B. Ingle, K. Phillips, J. Nichols, J. Wambaugh, and R. Tornero-Velez. Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 55(9): 6505-6517, (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.0c06117
    https://pasteur.epa.gov/uploads/10.23719/1502430/documents/Dawson%20et%20al%20S1%20Supporting%20Information.docx

    Dates

    Metadata Created Date August 14, 2022
    Metadata Updated Date August 14, 2022

    Metadata Source

    Harvested from EPA ScienceHub

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date August 14, 2022
    Metadata Updated Date August 14, 2022
    Publisher U.S. EPA Office of Research and Development (ORD)
    Maintainer
    Identifier https://doi.org/10.23719/1502430
    Data Last Modified 2021-09-29
    Public Access Level public
    Bureau Code 020:00
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Data Dictionary https://pasteur.epa.gov/uploads/10.23719/1502430/documents/Data%20Dictionary%20and%20Guide%20to%20Supporting%20Information.docx
    Data Dictionary Type application/vnd.openxmlformats-officedocument.wordprocessingml.document
    Harvest Object Id 2ac44e63-0ea5-48f6-8f9c-a56621e5cd04
    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.0c06117, https://pasteur.epa.gov/uploads/10.23719/1502430/documents/Dawson%20et%20al%20S1%20Supporting%20Information.docx
    Source Datajson Identifier True
    Source Hash 047441bed50b71f1f5dfcfeeae16d9a7dd9adf0b
    Source Schema Version 1.1

    Didn't find what you're looking for? Suggest a dataset here.