Welcome to ToxPrint

ToxPrint is a public set of chemotypes developed by Altamira LLC for FDA CFSAN’s CERES project. ToxPrint contains three basic subsets: generic structural fragments, Ashby-Tennant genotoxic carcinogen rules (Ashby, J.; Tennant, R.W., 1988), cancer TTC categories (Kroes, R. et. al. 2004).

ToxPrint is implemented in CSRML language and can be applied using the publicly available ChemoTyper application.

ToxPrint chemotypes can be downloaded free-of-charge for public use.

Publications about ToxPrint chemotypes, CSRML language, and ChemTyper application

Updates

  • 2014-06-11. The updated release 711 fixes the label assigned to the rule TXP-001-0270-0010-0050-0050 - there was an extra space character in the label, title, and comment. The updated ToxPrint file is available for download.
  • 2014-01-27. The updated release 219 fixes the issue with the incorrect structure representation in the rule TXP-004-0020-0200-0150-0150. The updated ToxPrint file is available for download.

Please note! The updated file does not replace automatically the ToxPrint in your ChemoTyper installation. In order to use it with your ChemoTyper, please follow these instructions.

Download

The ToxPrint chemotypes (XML file) are available for download for registered users.

Please login if you have already an account or register.

Contact

In technical support issues please contact us through: info@toxprint.org

Acknowledgement

The ChemoTyper application was developed by Molecular Networks GmbH, Erlangen, Germany under a contract from the U.S. FDA, Center for Food Safety and Applied Nutrition (CFSAN), Office of Food Additive Safety. The XML-based substructure (or chemotype) definition language CSRML was co-developed in collaboration with Altamira LLC, Columbus, OH, USA.

Visit the website of Molecular Networks GmbH and Altamira LLC.

Last modified 3 years ago Last modified on 03/17/16 17:56:40

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