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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles.  This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR.  Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment.  Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. Includes numerous practical examples related to QSAR methods and applications Follows the Organization for Economic Co-operation and Development principles for QSAR model development Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools.

MEDICAL --- Pharmacology --- QSAR (Biochemistry) --- Health & Biological Sciences --- Human Anatomy & Physiology --- Pharmacy, Therapeutics, & Pharmacology --- Animal Biochemistry --- Structure-activity relationships (Biochemistry) --- Biochemorphology --- Biomolecules --- Chemical structure-biological activity relationships --- Relationships, Structure-activity (Biochemistry) --- Physical biochemistry --- Quantitative structure-activity relationships (Biochemistry) --- Structure-activity relationships

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Surface activity is present in living systems; for example in body fluid or cell soup and molecules of surface-active nature are crucial to living matter and its organization. Surface Activity in Drug Action proposes ""a liquid membrane hypothesis of drug action"" for surface-active drugs. Chapters 1-7 contains an account of the hypothesis and chapter 8 contains a general account of the application of surface activity in therapeutics. The methodology and presentation of the information makes Surface Activity in Drug Action valuable reading for students and researchers interested

Lipid membranes --- Cells --- Structure-activity relationships (Biochemistry) --- Biochemorphology --- Biomolecules --- Chemical structure-biological activity relationships --- Relationships, Structure-activity (Biochemistry) --- Physical biochemistry --- Cells, Effect of drugs on --- Cellular pharmacology --- Drugs --- Effect of drugs on. --- Structure-activity relationships --- Drug effects --- Physiological effect

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Linear free energy relationship --- Structure-activity relationship (Biochemistry) --- Linear free energy relationship. --- Structure-activity relationships (Biochemistry) --- 544.16 --- Biochemorphology --- Biomolecules --- Chemical structure-biological activity relationships --- Relationships, Structure-activity (Biochemistry) --- Physical biochemistry --- Correlation analysis (Chemistry) --- Correlation equation (Chemistry) --- Free energy relationship, Linear --- Chemical reaction, Conditions and laws of --- Gibbs' free energy --- Dependence of a substance's properties on its atomic-molecular structure --- Structure-activity relationships --- Structure-activity relationships (Biochemistry). --- Constantes des substituants --- Relation lineaire energie libre --- Relations structure-activite

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This book presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment.The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwav

Structure-activity relationships (Biochemistry) --- Spectrum analysis. --- Molecules --- Quantum chemistry. --- Models. --- Biochemorphology --- Biomolecules --- Chemical structure-biological activity relationships --- Relationships, Structure-activity (Biochemistry) --- Physical biochemistry --- Analysis, Spectrum --- Spectra --- Spectrochemical analysis --- Spectrochemistry --- Spectrometry --- Spectroscopy --- Chemistry, Analytic --- Interferometry --- Optics --- Radiation --- Wave-motion, Theory of --- Absorption spectra --- Light --- Spectroscope --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Molecular models --- Chemical models --- Structure-activity relationships --- Qualitative --- Analytical chemistry

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Structure-activity relationships (Biochemistry) --- QSAR (Biochemistry) --- Environment --- Environmental Pollutants --- Structure-Activity Relationship --- analysis --- Environment. --- Structure-Activity Relationship. --- analysis. --- Biochemorphology --- Biomolecules --- Chemical structure-biological activity relationships --- Relationships, Structure-activity (Biochemistry) --- Quantitative structure-activity relationships (Biochemistry) --- Relationship, Structure-Activity --- Relationships, Structure-Activity --- Structure Activity Relationship --- Structure-Activity Relationships --- Environmental Impact --- Environmental Impacts --- Impact, Environmental --- Impacts, Environmental --- Environments --- Structure-activity relationships --- Physical biochemistry --- Environmental Health --- structuuractiviteitsrelaties --- structure activity relationships --- milieuchemie --- environmental chemistry --- ecotoxicologie --- ecotoxicology --- milieuwetenschappen --- environmental sciences --- Chemistry (General) --- Environmental Toxicology, Ecotoxicology --- Chemie (algemeen) --- Milieutoxicologie, ecotoxicologie --- Relations structure-activité (Biochimie) --- Relations structure-activité quantitatives (Biochimie)