Computer modeling in drug research. In vitro-in vivo extrapolation - clinical trials simulation. Clinical trials necessary for the drug approval are the most expensive stage of drug discovery and development process. At the same time drug candidate face the highest probability of failure, mainly due to insufficient safety profile, and the research discontinuation necessity occurs. Therefore there is much interest in methods which can support and guide clinical studies in humans and exclude the chance of the extreme observations findings. Computational modeling and simulation systems use for the automatic in vitro - in vivo extrapolation and clinical trials simulations have been recognized as useful and valuable tools superior in comparison with animal models as they enable to assess the variability in drug behaviour and human organism reaction. This paper summarizes whole series about mathematical modeling applications in pharmacy, especially in drug discovery and development. The paper also presents individual models as well as specialized platforms for advanced toxicological assessments, phy

Computer modeling in drug research. In vitro-in vivo extrapolation - clinical trials simulation. Clinical trials necessary for the drug approval are the most expensive stage of drug discovery and development process. At the same time drug candidate face the highest probability of failure, mainly due to insufficient safety profile, and the research discontinuation necessity occurs. Therefore there is much interest in methods which can support and guide clinical studies in humans and exclude the chance of the extreme observations findings. Computational modeling and simulation systems use for the automatic in vitro - in vivo extrapolation and clinical trials simulations have been recognized as useful and valuable tools superior in comparison with animal models as they enable to assess the variability in drug behaviour and human organism reaction. This paper summarizes whole series about mathematical modeling applications in pharmacy, especially in drug discovery and development. The paper also presents individual models as well as specialized platforms for advanced toxicological assessments, physico-chemical parameters and pharmacokinetic profiles predictions and very briefly their usage in PK-PD modeling.

Keywords: IVIVE, clinical trials, modeling.

sico-chemical parameters and pharmacokinetic profiles predictions and very briefly their usage in PK-PD modeling.

Keywords: IVIVE, clinical trials, modeling.