Exploring QSAR PDF Download

Author: Corwin Hansch
Publisher:
ISBN:
Category : Language Arts & Disciplines
Languages : en
Pages : 586

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Book Description
[Volume 2]: This volume contains comprehensive tables of physicochemical parameters (substituent constants and octanol-water log P values) that are necessary for Quantitative Structure-Activity Relationships (QSAR) and qualitative SAR. Almost all of the world's environmental protection agencies require log P values for new industrial chemicals. These values were collected over 25 years by two of the most renowned researchers in the field.

Author: Corwin Hansch
Publisher:
ISBN:
Category : Medical
Languages : en
Pages : 584

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Book Description
[Volume 2]: This volume contains comprehensive tables of physicochemical parameters (substituent constants and octanol-water log P values) that are necessary for Quantitative Structure-Activity Relationships (QSAR) and qualitative SAR. Almost all of the world's environmental protection agencies require log P values for new industrial chemicals. These values were collected over 25 years by two of the most renowned researchers in the field.

Author: James M. Sangster
Publisher: John Wiley & Sons
ISBN: 9780471973973
Category : Science
Languages : en
Pages : 182

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Book Description
Das Verhalten gelöster Stoffe in Octanol-Wasser-Gemischen ähnelt sehr dem im lebenden Gewebe; daher zieht man den Octanol-Wasser-Verteilungskoeffizienten logK(OW) beispielsweise zur Untersuchung des Schicksals organischer Schadstoffe in Umwelt und Nahrungsketten heran. Dieses Buch zeigt, wie man exakte Werte von logK(OW) durch Experimente und Berechnungen erhält und anwendet und führt in verständlicher Weise in physikochemische Grundlagen ein.

Author: Janusz Pawliszyn
Publisher: Royal Society of Chemistry
ISBN: 1847550142
Category : Science
Languages : en
Pages : 676

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Book Description
Solid Phase Microextraction (SPME) has been introduced as a modern alternative to current sample preparation technology, and has a wide range of applications. Focusing on quantitative aspects of analysis, Applications of Solid Phase Microextraction aims to describe these applications. In industry, practical uses of SPME can be found in environmental, food, pharmaceutical, clinical and forensic applications, all of which are described in this book. Important scientific applications such as reaction monitoring, characterization of coatings and distributions of analytes in natural multiphase systems are also discussed. Throughout there are descriptions of new technologies, including new coatings and interfaces for analytical instrumentation (SPME/LC and SPME/CE), automation and calibration processes. Written by internationally recognised experts, edited by the scientist involved in the research since its infancy, and encompassing a wide range of applications, this book will be ideal for anyone wishing to explore the feasibility of using SPME technology.

Author: David J. Hoffman
Publisher: CRC Press
ISBN: 142003250X
Category : Science
Languages : en
Pages : 1316

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Book Description
Completely revised and updated with 18 new chapters, this second edition includes contributions from over 75 international experts. Also, a Technical Review Board reviewed all manuscripts for accuracy and currency. Focusing on toxic substance and how they affect the ecosystems worldwide, the book presents methods for quantifying and measuring ecotoxicological effects in the field and in the lab, as well as methods for estimating, predicting, and modeling in ecotoxicology studies. This is the definitive reference for students, researchers, consultants, and other professionals in the environmental sciences, toxicology, chemistry, biology, and ecology - in academia, industry, and government.

Author: Andrew G. Mercader
Publisher: CRC Press
ISBN: 1498722598
Category : Science
Languages : en
Pages : 446

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Book Description
This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by

Author: Dennis A. Smith
Publisher: John Wiley & Sons
ISBN: 3527329544
Category : Medical
Languages : en
Pages : 269

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Book Description
In this new edition of a bestseller, all the contents have been brought upto-date by addressing current standards and best practices in the assessment and prediction of ADMET properties. Although the previous chapter layout has been retained, substantial revisions have been made, with new topics such as pro-drugs, active metabolites and transporters covered in detail in a manner useful to the Drug Discovery scientist. The authors discuss the parameters and processes important for the absorption, distribution and retention of drug compounds in the body, plus the potential problems created by their transformation into toxic byproducts. While aimed at all those dealing professionally with the development and application of pharmaceutical substances, the readily comprehensible style makes this book equally suitable for students of pharmacy and related subjects. Uniquely comprehensive, the book relates physicochemistry and chemical structure to pharmacokinetic properties and ultimately drug efficacy and safety.

Author: Philip Judson
Publisher: Royal Society of Chemistry
ISBN: 1788014715
Category : Computers
Languages : en
Pages : 298

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Book Description
This new edition has been thoroughly revised and updated to reflect the advances in using knowledge-based expert systems for chemistry.

Author: Mark T.D. Cronin
Publisher: CRC Press
ISBN: 9780203642627
Category : Science
Languages : en
Pages : 474

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Book Description
Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.

Author: Martin Masuelli
Publisher: Bentham Science Publishers
ISBN: 9815049437
Category : Medical
Languages : en
Pages : 390

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Book Description
Advanced Pharmacy is a textbook dedicated to advanced applications in pharmacy. The book balances information by including chapters that give basic knowledge and inform readers on the latest insights in pharmaceutical science. Authored by pharmacology experts and academics, each chapter highlights current knowledge in the field, presenting research in a didactic and educational manner for academics, researchers, and students who need to understand pharmacy. Additional features of the book include chapter summaries and references for advanced readers. Topics: Physical Pharmacy: Covers foundations of physical pharmacy, providing a solid understanding of the subject. Preformulation Studies: examines active pharmaceutical ingredient-excipent compatibility studies, a crucial aspect of drug formulation. Medicinal Chemistry Applications: explores medicinal chemistry applications using QSAR/QSPR theory. Computer-assisted Study: explains computer-assisted studies with the example of garlic organosulfur as an antioxidant agent. Enzymes in Biocatalysis: sheds light on enzyme characteristics, kinetics, production, and applications in biocatalysis. Antifungal Agents: provides insights into antifungal agents and their significance. Polysaccharides in Drug Delivery: explores the use of naturally and chemically sulfated polysaccharides in drug delivery systems. Immunomodulatory Plant Extracts: covers the evaluation of safety and benefits of immunomodulatory plant extracts. Biofilms and Persistent Cells: examines the development, causes, and consequences of biofilms and persistent cells. Analytical Methods for Drug Analysis: focuses on the development of analytical methods for analyzing drugs of abuse using experimental design. Steric Exclusion Chromatography: discusses steric exclusion chromatography, including chromatography of polymers in aqueous solutions. Intrinsic Viscosity Methods: explores intrinsic viscosity methods in natural polymer pharmaceutical excipients. Extraction Techniques in Green Analytical Chemistry: highlight environment-firendly techniques in analytical chemistry. Advanced Pharmacy is a comprehensive resource that bridges the gap between pharmaceutical research and practice, offering invaluable insights into the latest developments in the field. This textbook serves as an essential reference for both learners and scholars in basic and advanced courses in pharmacy and pharmaceutical science.