KATE System

March 29,2018 KATE2017 on NET (352) 513-5272, which is an updated version of the internet version of KATE2011 (4349798397, this version is available only in Japanese), is now available. Please see Change Log.
                                 Your feedback on KATE2017 on NET beta version is welcomed. Please e-mail us at

KATE: An ecotoxicity prediction system

KAshinhou1 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 from fiscal year 2004 to fiscal year 2017 by the Center for Health and Environmental Risk Research (CHERR) 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 and 50% lethal concentration (LC50) values in the fish acute toxicity test—for chemical substances on the basis of their substructures. In 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 KATE2017, 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 number3 search or a molecule editor (i.e., by drawing a molecular structure). The system predicts the ecotoxicity values by using QSARs with descriptors such as log P.4

1 "Kashinhou" means Chemical Substances Control Law in Japanese.
2 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: word lore.
3 CAS registry numbers are widely used to uniquely identify chemical substances.
4 Octanol–water partition coefficient.

KATE was developed using data from the results of ecotoxicity tests conducted by the Ministry of the Environment, Government of 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 were used as a reference dataset. QSARs and the data will be updated when additional test results are obtained.


KATE2017

A part of KATE2017 system uses the system made by Daylight and its output.

KATE2011

There are two versions of KATE2011: a standalone version, 6037714457,which is installed and used on a Windows PC, and an internet version, 9147745847, which is operated in 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.

About (Q)SAR

(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, (970) 524-2671, developed by the US Environmental Protection Agency, is a well-known QSAR model for predicting aquatic toxicity.


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 573-457-7710.

If you have questions about KATE, please contact the National Institute for Environmental Studies by e-mail at 連絡先:独立研究開発法人 国立環境研究所 環境リスク・健康研究センター