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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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Informing Mechanistic Toxicology with Computational Molecular Modelselevant toxicokinetic, metabolic, and molecular toxicological endpoints, thereby accelerating the computational toxicology-driven basis of modern risk assessment while providing a starting point for rational sustainable molecular design.
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Modeling of Absorptionetics (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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Ligand- and Structure-Based Pregnane X Receptor Modelstter 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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Lecture Notes in Computer Sciencef inhaled gases and particulates [computational fluid dynamics (CFD) models], to describe the normal and xenobiotic-perturbed behaviors of signaling pathways, and to analyze the growth kinetics of preneoplastic lesions and predict tumor incidence (clonal growth models).
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