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KATE2020

Registration instructions

If you are a new KATE2020 user, please register first. Registration instructions are provided in the Operating manual (PDF 3.6MB). KATE supports the browser Firefox.


About KATE2020

KATE2020 is an updated version of KATE2017 on NET.
For the main changes from "KATE2017 on NET", please see the Change Log.

  • Features
    • Prediction of toxicity values for an input chemical
      • (Acute)
        • 50% lethal concentration (LC50) in the fish acute toxicity test (OECD TG 203)
        • No-observed-effect concentration (NOEC) in the fish early-life-stage toxicity test (OECD TG 210)
        • 50% effective concentration (EC50) in the algal growth inhibition test (OECD TG 201)
      • (Chronic)
        • 50% effective concentration (EC50) in the Daphnia magna acute immobilization test (OECD TG 202)
        • No-observed-effect concentration (NOEC) in the Daphnia magna reproduction test (OECD TG 211)
        • No-observed-effect concentration (NOEC) in the algal growth inhibition test (OECD TG 201)
    • Judgment whether the prediction results are within the applicable range for structure and log P
    • Display of QSAR model graph
    • Prediction of toxicity values for multiple chemicals

Acknowledgements

KATE2020 uses outputs from the following software and libraries:

  • Open Babel
  • JSME Molecular Editor
    • B Bienfait and P Ertl, JSME: A free molecule editor in JavaScript, J. Cheminform. 5:24 (2013). doi:10.1186/1758-2946-5-24.
  • CDK (Chemistry Development Kit)
    • E Willighagen et al., The Chemistry Development Kit (CDK) v2.0: Atom typing, depiction, molecular formulas, and substructure searching, J. Cheminform. 9:33 (2017). doi:10.1186/s13321-017-0220-4.
    • JW May and C Steinbeck, Efficient ring perception for the Chemistry Development Kit, J. Cheminform. 6:3 (2014). doi:10.1186/1758-2946-6-3.
    • C Steinbeck et al., Recent developments of the Chemistry Development Kit (CDK) - an open-source Java library for chemo- and bioinformatics, Curr. Pharm. Des 12:2111-2120 (2006). doi:10.2174/138161206777585274.
    • C Steinbeck et al., The Chemistry Development Kit (CDK):  An open-source Java library for chemo- and bioinformatics, J. Chem. Inf. Comput. Sci. 43:493-500 (2003). doi:10.1021/ci025584y.
  • KOWWIN™ (included in EPI Suite™)
    • https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface

Notice

If you do not input a measured log P value of the chemical for which you want to predict the ecotoxicity, KATE will use a log P value estimated by means of KOWWIN™ with permission by the U.S. Environmental Protection Agency.

* KOWWIN™ is owned by the U.S. Environmental Protection Agency and is protected by copyright throughout the world.

Disclaimer

The prediction results generated by the KATE system are not guaranteed to be accurate. Please use this system as a tool for roughly estimating the ecotoxicity values of chemical substances. Values predicted by KATE cannot be used to satisfy the requirement for ecotoxicity data that are necessary for notification regarding new chemical substances under the Japanese Act on the Evaluation of Chemical Substances and Regulation of Their Manufacture, etc. (Chemical Substances Control Law).

For additional information about this website, including copyright information and instructions for linking to the site, please visit the Website Policy page.

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