Customer Benefits


This package will flag compounds in your screening library or your entire sample collection for hazards associated with specific pharmacophores. This is a perfect way to remove toxic compounds from screening or to set up a warning flag for weighers and bench chemists and biologists.


Brief Description


ToxAlert is an indispensable tool for high-throughput toxicity prediction; it assists in the early and quick identification of toxic drug candidates. The prediction is based on an improved version of the knowledge base implemented in HazardExpert, and besides the overall toxicity categorization, it provides probability percentages for different toxicity endpoints such as oncogenicity, mutagenicity, teratogenicity, neurotoxicity or cell toxicity. Results are presented in tabular format, prepared to be ready to export to any spreadsheet editor.


Features at a Glance

  • Predicts the toxicity of organic compounds based on toxic fragments
  • Supports High Throughput Screening
  • Results are given for seven different toxicity classes
  • Toxicity prediction for metabolites is available
  • Graphical interface for editing toxic fragments
  • Open knowledge bases - user can add own fragments


TOXAlert is operating under Windows computing platform.


If you need more information about our product, please e-mail CompuDrug International at