Change Log

March 29, 2018

KATE2017 on NET beta version was released.

Added features
• New reference data were added: 289 fish acute toxicity values and 109 Daphnia acute toxicity values.
• Ecotoxicity predicting functions for the following endpoints were added:
       Alga: 50% effective concentration (EC50) and no-observed-effect concentration (NOEC) in the algal growth inhibition test (72 h)
       Daphnia (chronic): NOEC in the Daphnia magna reproduction test (21 d)
       Fish (chronic): NOEC in the fish early-life-stage toxicity test
• Toxicity data obtained by means of the limit test (e.g., a test used to identify compounds that show no effect at the highest concentration used in the test) were added. These data are presented in tables and graphs and are used to determine applicability domains based on chemical substructures.

Update of QSAR models
• The language used for chemical substructure searching was changed from Fragment Identification by Tree Structure (FITS) to SMiles ARbitrary Target Specification (SMARTS), and SMARTS substructure searching by means of the Chemistry Development Kit (CDK) was implemented.
• The definitions and classifications of chemical structures for the QSAR models were improved.
• For several of the QSARs, the new version uses not only log P values but other values such as log BCF as descriptors. In addition, multiple-regression equations, and activity–activity relationships (e.g., an equation to predict the chronic toxicity of a chemical to Daphnia by use of the acute toxicity of the chemical to Daphnia) have been introduced.

Improvement of displays and operations
• A Power User option checkbox was introduced on the login page.
        When the box is checked (on), the software operates in an advanced mode (with more functionality) intended for expert users.
        When the box is unchecked (off), the software operates in a simple mode intended for non-expert users.
• Several new pages are added.

April 18, 2016

The Center for Environmental Risk Research became the Center for Health and Environmental Risk Research as a result of a reorganization of the National Institute for Environmental Studies (NIES).

February 2, 2016

KATE2011 was updated.

The manuals for KATE on NET and KATE on PAS were revised.
Several links (URLs) were changed.

January 22, 2016

A graphic function was adjusted for compatibility with various web browsers: Internet Explorer 11, Edge, Firefox, Chrome, Safari, and Opera.

December 25, 2015

KATE2011 was updated.

A 95% prediction interval for the value predicted by the QSAR model was added, and the prediction intervals of regression graphs were modified.
The links on the View Result page were deleted.

March 31, 2011

An updated version of KATE (designated KATE2011) was released.

Version control
Version control by year was implemented for KATE update.

Added features
Reference substance and measured log P values reported since the March 2009 version were added. The QSAR models were updated using ClogP.

Update of QSAR models
The classification rules of QSARs and the definition of substructures were updated. In addition, substructures related to skin sensitization were added to improve accuracy for C-judgment (structural domains).

References
S.J. Enoch, J.C. Madden, and M.T.D. Cronin, Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach, SAR QSAR Environ. Res. 19:555-578 (2008). https://doi.org/10.1080/10629360802348985.

A. Furuhama, K. Hasunuma, Y. Aoki, Y. Yoshioka and H. Shiraishi, Application of chemical reaction mechanistic domains to an ecotoxicity QSAR model, KAshinhou Tool for Ecotoxicity (KATE), SAR QSAR Environ. Res. 22:505–523 (2011). http://dx.doi.org/10.1080/1062936X.2011.569944.

September 7, 2010

A reference citation was added to the Frequently Asked Questions page.

A. Furuhama, T. Toida, N. Nishikawa, Y. Aoki, Y. Yoshioka, and H. Shiraishi, Development of an ecotoxicity QSAR model for the KAshinhou Tool for Ecotoxicity (KATE) system, March 2009 version, SAR QSAR Environ. Res. 21:403–413 (2010). http://dx.doi.org/10.1080/1062936X.2010.501815.

March 16, 2009

A standalone version called KATE on PAS was released and the internet version, called KATE on NET, was updated (both versions were available only in Japanese).

Release of KATE on PAS (standalone version)
KATE on PAS, which was developed in collaboration with Oita University, runs on Windows XP and Vista and is downloadable from the exchange server of the NIES.

Update of KATE on NET (internet version)
The input page of KATE was revised, the results page was simplified, and operability was improved.

Addition of data, change in calculation algorithm
The original QSAR models were based on the results of ecotoxicity tests collected until December 2006 according to good laboratory practice and sponsored by the Japanese Ministry of the Environment. The updated version of KATE includes the results of additional ecotoxicity tests collected until March 2008 according to good laboratory practice and sponsored by the Japanese Ministry of the Environment. In addition, KATE on NET uses the same substructure-acquisition program as KATE on PAS so that both versions output the same calculation results.

September 1, 2008

The page for the input of chemical substance information was corrected, and a Frequently Asked Questions page was added.

January 31, 2008

A trial version of KATE (ver 0.1, available only in Japanese) was published.