Titlebook: Computational Toxicology; Volume I Brad Reisfeld,Arthur N. Mayeno Book 2013 Springer Science+Business Media, LLC 2013 chemical property pre

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Lester Mandelker,Peter Vajdovichetics (PBPK). Pharmacodynamic (PD) models for therapeutic and adverse effects are also often linked to the absorption and PK simulations, providing PK/PD or PBPK/PD capabilities in a single package. These programs simulate the interactions among a variety of factors including the physicochemical pro

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Botros Rizk,Marwa Badr,Christina Talericotter success has been achieved with ligand-based modeling methods including quantitative structure–activity relationship (QSAR) analysis, pharmacophore modeling and machine learning that use appropriate descriptors to account for the diversity of the ligand classes that bind to PXR. These combined c

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What is Computational Toxicology?ematical and computer-based models to better understand and predict adverse health effects caused by chemicals, such as environmental pollutants and pharmaceuticals. Encompassing medicine, biology, biochemistry, chemistry, mathematics, computer science, engineering, and other fields, computational t

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Computational Toxicology: Application in Environmental Chemicalsodels describe the release, transportation, and transformation of chemicals from sources of emission throughout the general environment. Exposure models integrate the microenvironmental concentrations with the amount of time an individual spends in these microenvironments to estimate the intensity,

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Role of Computational Methods in Pharmaceutical Scienceshods have provided support in terms of databases, data mining of large genomes, network analysis, systems biology on the bioinformatics front and structure–activity relationship, similarity analysis, docking, and pharmacophore methods for lead design and optimization. This review highlights some of

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