The Japanese government has released a web application for determining aquatic toxicity on the basis of quantitative structure-activity relationship (Qsar) modelling.
The National Institute for Environmental Studies (NIES) developed the application – KATE2017 on NET – for the Ministry of the Environment.
KATE2017 on NET is an updated version of KATE2011. The KATE in the name is derived from "Kashinhou Tool for Ecotoxicity", with Kashinhou meaning Chemical Substances Control Law in Japanese.
KATE2011 was able to predict:
- EC50 values for the Daphnia acute immobilisation test; and
- LC50 values for the fish acute toxicity test.
KATE2017 is also able to predict:
- EC50 and no-observed-effect concentration (Noec) values for the (72 hour) algal growth inhibition test;
- Noec values for the (21 day) Daphnia magna reproduction test ; and
- Noec values for the fish early-life-stage toxicity test.
Users can input molecular structures using simplified molecular-input line-entry system (SMILES) formulae.
The application is suitable for "roughly estimating" ecotoxicity values only, according to a disclaimer on the website. Results should not be used for new substance notifications under the Japanese Chemical Substances Control Law.