KAshinhou Tool for Ecotoxicity - Ecotoxicity prediction system
- March 30, 2023
- KATE2020 was updated to version 4.0. Please see Change Log.
- March 30, 2022
- KATE2020 was updated to version 3.0. Please see Change Log.
- January 28, 2021
- KATE2020 was updated to version 2.0. Please see Change Log.
- April 30, 2020
- KATE2020 was updated to version 1.1. Please see Change Log.
- February 3, 2020
- KATE2020 version 1.0, which is an updated version of KATE2017 on NET, is now available. Please see Change Log. KATE supports the browser Firefox.
Your feedback on KATE2020 is welcomed. Please e-mail us at .
KATE2020 version 4.0
KATE: An ecotoxicity prediction system
KAshinhou*1 Tool for Ecotoxicity (KATE) is an ecotoxicity prediction system that consists of quantitative structure-activity relationship (QSAR) models and was researched and developed under contract with the Ministry of the Environment, Government of Japan by the Health and Environmental Risk Division of the National Institute for Environmental Studies (NIES).
KATE was originally developed to provide predicted ecotoxicity values—specifically, 50% effective concentration (EC50) values in the Daphnia acute immobilization test (48 h) and 50% lethal concentration (LC50) values in the fish acute toxicity test (96 h) —for chemical substances on the basis of their substructures. Since KATE2017, the predicted ecotoxicity values of the following endpoints are provided: EC50 and no-observed-effect concentration (NOEC) values in the algal growth inhibition test (72 h); NOEC values in the Daphnia magna reproduction test (21 d); and NOEC values in the fish early-life-stage toxicity test. In KATE2020, the structures of the chemical substances are characterized by Simplified Molecular Input Line Entry System (SMILES) strings*2, which can be obtained by means of a CAS registry number*3 search or a molecule editor, etc. The system predicts the ecotoxicity values by using QSARs with log P*4.
KATE was developed using data from the results of ecotoxicity tests conducted by the Ministry of the Environment, Japan (Daphnia immobilization tests and fish acute toxicity tests, as well as algal growth inhibition tests, Daphnia magna reproduction tests, and fish early-life-stage toxicity tests) according to good laboratory practice (GLP); fish acute toxicity test results from the US Environmental Protection Agency fathead minnow database are also used. QSARs and the data will be updated when additional test results are obtained.
- "Kashinhou" means Chemical Substances Control Law in Japanese.
- SMILES is a line notation system for describing the molecular structures of chemical compounds. For information about SMILES, see the Daylight Chemical Information Systems homepage: http://www.daylight.com/smiles/index.html.
- CAS registry numbers are widely used to uniquely identify chemical substances.
- Octanol-water partition coefficient.
There are two versions of KATE2011: a standalone version, KATE on PAS, which is installed and used on a Windows PC; and an internet version KATE on NET, which runs on a web browser on the internet. Note that both versions of KATE2011 are available only in Japanese.
A part of KATE2011 system uses the outcome of joint research between Oita University and NIES, and also uses software developed by Daylight Chemical Information Systems and its outputs.
Daylight toolkit/CLogP programs
(Q)SARs are correlations between the structural or physicochemical characteristics of chemical substances and their biological activities (e.g., toxicity). For example, a SAR can be used to predict the hazardousness of a chemical substance on the basis of the presence of a specific functional group in the molecule. A mathematical model that uses structure to quantitatively calculate the toxicity or other properties of a substance is called a QSAR model. For example, ECOSAR, developed by the US Environmental Protection Agency, is a well-known QSAR model for predicting aquatic toxicity.
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).
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If you have questions about KATE, please contact the National Institute for Environmental Studies by e-mail at .