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:
- 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;
- Next, the non-bioavailable phase was accounted for and excluded from the aqueous concentration;
- Finally, the new algorithms from the ecotoxicity QSAR were used as above to determine the relative toxicity of each constituent in terms of activity.