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Watch our new video tutorial on iSafeRat® model to predict aquatic toxicity of mixtures

July 01, 2014

In this 15 minutes video presentation, Dr. Paul THOMAS from KREATiS introduces the iSafeRat® module to predict aquatic toxicity of mixtures. The approach used was to create a three step model:

  1. First a thermodynamic mixture algorithm was prepared which determines the actual concentration of each constituent in the aqueous phase from a given original mixture concentration;
  2. Next, the non-bioavailable phase was accounted for and excluded from the aqueous concentration;
  3. Finally, the new algorithms from the ecotoxicity QSAR were used as above to determine the relative toxicity of each constituent in terms of activity.
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KREATiS, Knowledge & research in environment and toxicology in silico

Knowledge & research in environment and toxicology in silico