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After a necessary introduction to replace the QSAR in its historical context and methodology, we try to evaluate its potential, limitations and the ways that are utilized nowadays. For this purpose, the European evaluation program of chemical safety (REACH) is used as a concrete example of opportunity for QSAR. The advantages and disadvantages associated to the QSAR use within REACH, will be judged both economically and ethically but foremost from the point of view of toxicology. Following this, we will try to explain and to objectify the poor results of QSAR that are often criticized and the highlight the recent efforts mad to correct them. The prediction accuracy and certainly of the chemical activity that use a simple equation stay a myth. But the utility of QSAR for some purposed is itself real. Après une brève introduction visant à situer le QSAR dans son contexte historique et méthodologique, nous tenterons d’évaluer son potentiel, ses limites et les manières dont les modèles sont actuellement mis à profit. Pour ce faire, le programme d’évaluation de la sureté des substances chimiques au sein de l’Union Européenne (REACH) est utilisé comme exemple concret et actuel de débouchés pour le QSAR. Les avantages et inconvénients étant associés à son utilisation au sein de REACH, seront jugés tant au point de vue économique qu’éthique et avant tout du point de vue toxicologique. Suite à cela, nous tenterons d’expliquer et d’objectiver le manque de résultats souvent reproché au QSAR et soulignerons les récents efforts réalisés pour y remédier. Si prédire avec exactitude et certitude l’activité d’une substance chimique à l’aide d’une simple équation reste confiné au domaine du mythe, l’utilité du QSAR à certaines fins est quant à elle bien réelle.
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Highlighting 15 selected chiral structures, which represent candidate or marketed drugs, and their chemical syntheses, the authors acquaint the reader with the fascinating achievements of synthetic and medicinal chemistry. The book starts with an introduction treating the discovery and development of a new drug entity. Each of the 15 subsequent chapters presents one of the target structures and begins with a description of its biological profile as well as any known molecular mechanisms of action, underlining the importance of its structural and stereochemical features. This section is followed by detailed discussions of synthetic approaches to the chiral target structure, highlighting creative ideas, the scaling-up of laboratory methods and their replacement by efficient modern technologies for large-scale production. Nearly 60 synthetic reactions, most of them stereoselective, catalytic or biocatalytic, as well as chiral separating methodologies are included in the book. Vitomir Sunjic and Michael J. Parnham provide an invaluable source of information for scientists in academia and the pharmaceutical industry who are actively engaged in the interdisciplinary development of new drugs, as well as for advanced students in chemistry and related fields.
Chiral drugs. --- Drugs. --- Drugs -- Handbooks, manuals, etc. --- Pharmacology. --- Therapeutics. --- Chiral drugs --- Biochemical Phenomena --- Investigative Techniques --- Chemistry, Pharmaceutical --- Natural Science Disciplines --- Pharmacological Phenomena --- Chemicals and Drugs --- Analytical, Diagnostic and Therapeutic Techniques and Equipment --- Disciplines and Occupations --- Pharmacology --- Chemical Phenomena --- Physiological Phenomena --- Phenomena and Processes --- Biological Science Disciplines --- Structure-Activity Relationship --- Chemistry --- Methods --- Drug Discovery --- Pharmaceutical Preparations --- Health & Biological Sciences --- Pharmacy, Therapeutics, & Pharmacology --- Enantiomeric drugs --- Enantiomerically pure drugs --- Medicine. --- Pharmaceutical technology. --- Organic chemistry. --- Chemical engineering. --- Medicinal chemistry. --- Medical biochemistry. --- Biomedicine. --- Pharmacology/Toxicology. --- Pharmaceutical Sciences/Technology. --- Organic Chemistry. --- Medicinal Chemistry. --- Medical Biochemistry. --- Industrial Chemistry/Chemical Engineering. --- Drugs --- Enantiomers --- Toxicology. --- Chemistry, Organic. --- Biochemistry. --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Medical sciences --- Organic chemistry --- Pharmaceutical laboratory techniques --- Pharmaceutical laboratory technology --- Technology, Pharmaceutical --- Technology --- Chemicals --- Medicine --- Poisoning --- Poisons --- Chemistry, Industrial --- Engineering, Chemical --- Industrial chemistry --- Engineering --- Chemistry, Technical --- Metallurgy --- Composition --- Toxicology --- Medical biochemistry --- Pathobiochemistry --- Pathological biochemistry --- Biochemistry --- Pathology --- Chemistry, Medical and pharmaceutical --- Drug chemistry --- Medical chemistry --- Medicinal chemistry --- Pharmacochemistry --- Drug effects --- Medical pharmacology --- Chemotherapy --- Pharmacy --- Physiological effect
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