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Physiologically-based Pharmacokinetic Modeling
Physiologically based pharmacokinetic (PBPK) modeling is a mathematical modeling technique for predicting the absorption, distribution, metabolism and excretion (ADME) of synthetic or natural chemical substances in humans and other animal species. PBPK modeling is used in pharmaceutical research and drug development, and in health risk assessment for cosmetics or general chemicals. PBPK models strive to be mechanistic by mathematically transcribing anatomical, physiological, physical, and chemical descriptions of the phenomena involved in the complex ADME processes. A large degree of residual simplification and empiricism is still present in those models, but they have an extended domain of applicability compared to that of classical, empirical function based, pharmacokinetic models. PBPK models may have purely predictive uses, but other uses, such as statistical inference, have been made possible by the development of Bayesian statistics, Bayesian statistical tools able to deal wi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
In Vitro To In Vivo Extrapolation
In vitro to in vivo extrapolation (IVIVE) refers to the qualitative or quantitative transposition of experimental results or observations made in vitro to predict phenomena in vivo, biological organisms. The problem of transposing in vitro results is particularly acute in areas such as toxicology where animal experiments are being phased out and are increasingly being replaced by Alternatives to animal testing, alternative tests. Results obtained from ''in vitro'' experiments cannot often be directly applied to predict biological responses of organisms to chemical exposure ''in vivo''. Therefore, it is extremely important to build a consistent and reliable ''in vitro'' to ''in vivo'' extrapolation method. Two solutions are now commonly accepted: *(1) Increasing the complexity of ''in vitro'' systems where multiple cells can interact with each other in order recapitulate cell-cell interactions present in tissues (as in "human on chip" systems). *(2) Using mathematical modeling to n ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Toxicology
Toxicology is a scientific discipline, overlapping with biology, chemistry, pharmacology, and medicine, that involves the study of the adverse effects of chemical substances on living organisms and the practice of diagnosing and treating exposures to toxins and toxicants. The relationship between dose and its effects on the exposed organism is of high significance in toxicology. Factors that influence chemical toxicity include the dosage, duration of exposure (whether it is acute or chronic), route of exposure, species, age, sex, and environment. Toxicologists are experts on poisons and poisoning. There is a movement for evidence-based toxicology as part of the larger movement towards evidence-based practices. Toxicology is currently contributing to the field of cancer research, since some toxins can be used as drugs for killing tumor cells. One prime example of this is ribosome-inactivating proteins, tested in the treatment of leukemia. The word ''toxicology'' () is a neocla ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
PottersWheel
PottersWheel is a MATLAB toolbox for mathematical modeling of time-dependent dynamical systems that can be expressed as chemical reaction networks or ordinary differential equations (ODEs). It allows the automatic calibration of model parameters by fitting the model to experimental measurements. CPU-intensive functions are written or – in case of model dependent functions – dynamically generated in C. Modeling can be done interactively using graphical user interfaces or based on MATLAB scripts using the PottersWheel function library. The software is intended to support the work of a mathematical modeler as a real potter's wheel eases the modeling of pottery. Seven modeling phases The basic use of PottersWheel covers seven phases from model creation to the prediction of new experiments. Model creation The dynamical system is formalized into a set of reactions or differential equations using a visual model designer or a text editor. The model is stored as a MATLAB *.m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
MCSim
GNU MCSim is a suite of simulation software. It allows one to design one's own statistical or simulation models, perform Monte Carlo simulations, and Bayesian inference through (tempered) Markov chain Monte Carlo simulations. The latest version allows parallel computing of Monte Carlo or MCMC simulations. Description GNU MCSim is a simulation and statistical inference tool for algebraic or differential equation systems, optimized for performing Monte Carlo analysis. The software comprises a model generator and a simulation engine: * The model generator facilitates structural model definition and maintenance, while keeping execution time short. The model is coded using a simple grammar, and the generator translates it into C code. Starting with version 5.3.0, models coded in SBML can also be used. * The simulation engine is a set of routines that are linked to the model in order to produce executable code. The result is that one can run simulations of the structural model under a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ecolego
Ecolego is a simulation software tool that is used for creating dynamic models and performing deterministic and probabilistic simulations. It is also used for conducting risk assessments of complex dynamic systems evolving over time. Ecolego can be applied in a variety of areas, but is mainly used for risk assessment in radioecology, ECOLEGO - A toolbox for radio ecological risk assessment, Proceedings of the International Conference on the Protection from the Effects of Ionizing Radiation’’, IAEA-CN-109/80. Stockholm: International Atomic Energy Agency. 229 - 232. environmental science, environmental physics and Physiologically-based pharmacokinetic modelling, PBPK modeling. 2-FUN - A project concerning full-chain a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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