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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 statistical tools able to deal with complex models. Th ... [...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 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 numerically simulate the behavio ... [...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'' () ... [...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 *. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
MCSim
GNU MCSim is a suite of simulation software. It allows users to design statistical or simulation models, perform Monte Carlo simulations, and Bayesian inference through (tempered) Markov chain Monte Carlo (MCMC) 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 source code for C. Starting with version 5.3.0, models coded in Systems Biology Markup Language (SBML) can also be used. * The simulation engine is a set of routines that are linked to the model to produce executable code. The result is that simulations of 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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Berkeley Madonna
Berkeley Madonna is a mathematical modelling software package, developed at the University of California at Berkeley by Robert Macey and George Oster. It numerically solves ordinary differential equations and difference equations, originally developed to execute STELLA programs. Its strength lies in a relatively simple syntax to define differential equations coupled with a simple yet powerful user interface. In particular, Berkeley Madonna provides the facility of putting parameters onto a slider that can in turn be moved by a user to change the value. Such visualizations enable quick assessments of whether or not a particular model class is suitable to describe the data to be analyzed and modeled, and, later, communicating models easily to other disciplines such as medical decision makers. Uses It has become a standard in the development and communication of pharmacometric models describing drug concentration and its effects in drug development as well as modeling of phy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Simcyp Simulator
Simcyp Limited was acquired March 13, 2012, by Certara inc. Simcyp Limited is a research-based company which provides modelling and simulation software to the pharmaceutical industry for use during drug development. Simcyp is based in Sheffield, UK. Simcyp’s Simulators allow ''in silico'' prediction of drug absorption, distribution, metabolism excretion (ADME) and potential drug-drug interactions. Research and development Simcyp’s R&D activities focus on the development of algorithms along with population and drug databases for modelling and simulation (M&S) of the absorption and disposition of drugs in patients and specific subgroups of patients across different age ranges. The Simcyp models use experimental data generated routinely during pre-clinical drug discovery and development from ''in vitro'' enzyme and cellular systems, as well as any relevant physico-chemical attributes of the drug and dosage forms. Some details of the scientific background of Simcyp approaches can ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Simulations Plus
Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity ( ADMET) modeling and simulation software for the pharmaceutical and biotechnology, industrial chemicals, cosmetics, food ingredients, and herbicide industries. In September 2014, the company acquired Cognigen Corporation, a provider of clinical trial data analysis and consulting services. ReferencesSimulations Plus, Inc. - San Fernando Valley Business Journal - December 29, 2010 * ttp://www.alacrastore.com/storecontent/datamonitor-company-profiles/mtx00203 Simulations Plus, Inc. - Datamonitor Company Profiles via Alacra Stor ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Toxicology And Applied Pharmacology
''Toxicology and Applied Pharmacology'' is a semi-monthly peer-reviewed scientific journal covering research pertaining to the action of chemicals, drugs, or natural products on animals or humans. The journal covers mechanistic approaches to the physiological, biochemical, cellular, or molecular understanding of toxicologic and pathologic lesions and to methods used to describe these responses. Abstracting and indexing The journal is abstracted and indexed in Index Medicus/MEDLINE/PubMed. According to the ''Journal Citation Reports'', the journal has a 2023 impact factor The impact factor (IF) or journal impact factor (JIF) of an academic journal is a type of journal ranking. Journals with higher impact factor values are considered more prestigious or important within their field. The Impact Factor of a journa ... of 3.3. References External links * {{DEFAULTSORT:Toxicology And Applied Pharmacology Semi-monthly journals Elsevier academic journals English-language j ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physiome
The physiome of an individual's or species' physiological state is the description of its functional behavior. The physiome describes the physiological dynamics of the normal intact organism and is built upon information and structure (genome, proteome, and morphome). The term comes from "physio-" (nature) and "-ome" (as a whole). The study of physiome is called physiomics. The concept of a physiome project was presented to the International Union of Physiological Sciences (IUPS) by its Commission on Bioengineering in Physiology in 1993. A workshop on designing the Physiome Project was held in 1997. At its world congress in 2001, the IUPS designated the project as a major focus for the next decade. The project is led by the Physiome Commission of the IUPS. Other research initiatives related to the physiome include: *The EuroPhysiome Initiative *The NSR Physiome Project of the National Simulation Resource (NSR) at the University of Washington, supporting the IUPS Physiome Projec ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Systems Biology
Systems biology is the computational modeling, computational and mathematical analysis and modeling of complex biological systems. It is a biology-based interdisciplinary field of study that focuses on complex interactions within biological systems, using a holistic approach (holism instead of the more traditional reductionist, reductionism) to biological research. This multifaceted research domain necessitates the collaborative efforts of chemists, biologists, mathematicians, physicists, and engineers to decipher the biology of intricate living systems by merging various quantitative molecular measurements with carefully constructed mathematical models. It represents a comprehensive method for comprehending the complex relationships within biological systems. In contrast to conventional biological studies that typically center on isolated elements, systems biology seeks to combine different biological data to create models that illustrate and elucidate the dynamic interactions with ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
