KREATiS tutorials - experimentation VS. QSAR model 3
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iSafeRat® WAF calculation method to determine aquatic toxicity of mixtures (15 min)

Introduction of the iSafeRat® 3-step calculation method using to determine aquatic toxicity of mixtures:

a) First, actual concentration of each constituent in the aqueous phase, called also AMAP (Analytically Measurable Aqueous Phase) is calculated from a given original mixture composition thanks to a thermodynamic algorithm;
b) Next, the non-bioavailable phase was accounted for and excluded from the aqueous phase;
c) Finally, the new algorithms from the ecotoxicity QSAR were used as above to determine the relative toxicity of each constituent in terms of activity to get the global activity of the mixture, and so its toxicity
Kreatis, Knowledge & research in environment and toxicology in silico - QSAR REACH alternative
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