Toxicology simulation modeling

Andersen, M.E., H.J. Clewell III, and C.G. Fredrick. 1995. Applying simulation modeling to problems in toxicology and risk assessment - A short perspective. Toxicol. Appl. Pharmacol. 133 181-187. 

Andersen, M. E., Cfeweff, H. J., Ill, and Frederick, C. B. (1995). Appfying simulation modeling to problems in toxicology and risk assessment—A short perspective. Toxicol Appl Pharmacol 133, 181-187. 

Toxicology requirements ° Acute versus chronic toxicity testing ° New methods for toxicologic evaluation 0 Simulating modeling... 

Mekenyan OG, Dimitrov SD, Pavlov TS, Veith GD. A systematic approach to simulating metabolism in computational toxicology. I. The TIMES heuristic modelling framework. Curr Pharm Des 2004 10 1273-93. 

The consequence of moving consciously toward this model will be the provision of a robust and scalable IT infrastructure and systems able to cope with exponentially growing data mountains that will need to be integrated and shared, accessed and mined in the most effective way. It will also require formidable computing power and sophisticated algorithms to be able to simulate both organs and whole body systems to reduce expensive failures in the clinic and predict much earlier the pharmacokinetic and pharmacodynamic properties and toxicological and efficacy profiles of molecules in pharmaceu-... 

The PBPK model for a chemical substance is developed in four interconnected steps (1) model representation, (2) model parametrization, (3) model simulation, and (4) model validation (Krishnan and Andersen 1994). In the early 1990s, validated PBPK models were developed for a number of toxicologically important chemical substances, both volatile and nonvolatile (Krishnan and Andersen 1994 Leung 1993). PBPK models for a particular substance require estimates of the chemical substance-specific... 

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