Download or read book Classical and Three dimensional QSAR in Agrochemistry written by Corwin Hansch and published by . This book was released on 1995 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discusses the applications of classical QSAR and molecular modeling analysis to the discovery of new agrochemicals. Examines hydrophobicity parameters derived from various partitioning systems. Includes chapters focusing on the use of three-dimensional QSAR analyses such as CoMFA and DISCO. Presents information on the use of QSAR to study transport and toxicology of agrochemicals.

Download or read book 3D QSAR in Drug Design written by Hugo Kubinyi and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.

Download or read book QSAR and Drug Design New Developments and Applications written by H. Timmerman and published by Elsevier. This book was released on 1995-11-20 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, the topics in this volume cover almost every procedure and subdiscipline in the SAR discipline. They are categorized in three sections. Section one includes topics illustrating newer methodologies relating to ligand-receptor, molecular graphics and receptor modelling as well as the three-dimensional (Q)SAR examples with the active analogue approach and the comparative molecular field analysis. In section 2 the hydrophobicity parameters, log P (1-octanol/water) for compound series of medicinal-chemical interest are analysed physico-organic chemically. Section 3 contains the examples based on the traditional Hansch QSAR approach. A variety of methodologies and procedures are presented in this single volume, along with their methodological philosophies.

Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Comparative Qsar written by James Devillers and published by CRC Press. This book was released on 1998-03-03 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the 21st century approaches, there is little doubt that the tools and resources are available to unlock all the secrets of Quantitative Structure-Activity Relationships (QSAR) in order to design more efficient drugs and safer chemicals. The comparison QSAR models provide are a key to reach a deep understanding of the foundation and a better optimisation of the use of these statistical tools. Seeking out the similarities and differences among QSAR Models allows the user to estimate their simulation performances, find chemo-taxonomical links, and uncover In vivo/In Vitro relationships. The purpose of this book is to highlight the multifaceted aspect of the term "comparative QSAR" by bringing together QSAR experts of various origins and allowing them to offer their views on this diverse subject.

Download or read book Quantitative Structure Activity Relationship QSAR Models of Mutagens and Carcinogens written by Romualdo Benigni and published by CRC Press. This book was released on 2003-02-26 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied with success in a number of areas, QSAR studies have become particularly popular in the rational design of drugs and pesticides. Much has been published on the principles of QSAR in this area, but not on their application s to toxic chemicals. This book provides the first comprehensive, interdisciplinary presentation of QSAR studies on

Download or read book Handbook of Molecular Descriptors written by Roberto Todeschini and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative studies on structure-activity and structure-property relationships are powerful tools in directed drug research. In recent years, various strategies have been developed to characterize and classify structural patterns by means of molecular descriptors. It has become possible not only to assess diversities or similarities of structure databases, but molecular descriptors also facilitate the identification of potential bioactive molecules from the rapidly increasing number of compound libraries. They even allow for a controlled de-novo design of new lead structures. This is the most comprehensive collection of molecular descriptors and presents a detailed review from the origins of this research field up to present day. This practically oriented reference book gives a thorough overview of the different molecular descriptors representations and their corresponding molecular descriptors. All descriptors are listed with their definition, symbols and labels, formulas, some numerical examples, data and molecular graphs, while numerous figures and tables aid comprehension of the definitions. Cross-references throughout, a list of acronyms and notations allow easy access to the information needed to solve a specific research problem. Examples of descriptor calculations along with tables of descriptor values for a set of selected reference compounds and an up-to-date reference list add to the practical value of the book, making it an invaluable guide for all those dealing with bioactive molecules as well as for researchers.

Download or read book A Practical Guide to Understanding Managing and Reviewing Environmental Risk Assessment Reports written by Sally L. Benjamin and published by CRC Press. This book was released on 2001-02-21 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Practical Guide to Understanding, Managing and Reviewing Environmental Risk Assessment Reports provides team leaders and team members with a strategy for developing the elements of risk assessment into a readable and beneficial report. The authors believe that successful management of the risk assessment team is a key factor is quality repor

Download or read book Applications of Density Functional Theory to Biological and Bioinorganic Chemistry written by Mihai V. Putz and published by Springer. This book was released on 2013-02-01 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors. Readership: research scientists at universities or in industry, graduate students Special offer For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

Download or read book Pharmacokinetic Optimization in Drug Research written by Bernard Testa and published by John Wiley & Sons. This book was released on 2001-03-26 with total page 678 pages. Available in PDF, EPUB and Kindle. Book excerpt: The optimization of pharmacokinetic properties has become the bottleneck and a major challenge in drug research. There was, hence, an urgent need for a book covering this field in an authoritative, comprehensive, factual, and conceptual manner. In this work of unique breadth and depth, international authorities and practicing experts from academia and industry present the most modern biological, physicochemical, and computational strategies to achieve optimal pharmacokinetic properties in research series. These properties include gastrointestinal absorption, protein binding, brain permeation, and metabolic profile. Toxicological issues are, of course, also of utmost importance. In addition to its 33 chapters, the book includes a CD-ROM containing the invited lectures, oral communications and posters (in full version) presented at the Second LogP Symposium, 'Lipophilicity in Drug Disposition -- Practical and Computational Approaches to Molecular Properties Related to Drug Permeation, Disposition and Metabolism', held at the University of Lausanne in March 2000.n̓.

Download or read book Modern Crop Protection Compounds written by Peter Jeschke and published by John Wiley & Sons. This book was released on 2019-05-06 with total page 1772 pages. Available in PDF, EPUB and Kindle. Book excerpt: The leading reference on this topic has just gotten better. Building on the success of the previous two editions, all the chapters have been updated to reflect the latest developments in the field, and new chapters have been added on picolinic acids, oxathiapiprolin, flupyradifurone, and other topics. This third edition presents the most important active ingredients of modern agrochemicals, with one volume each for herbicides, fungicides, and insecticides. The international team of first-class authors from such renowned crop science companies as Bayer, Syngenta, Dow AgroSciences, DuPont (now Corteva Agriscience), and BASF, address all crucial aspects from the general chemistry and the mode of action to industrial-scale synthesis, as well as from the development of products and formulations to their application in the field. A comprehensive and invaluable source of timely information for all of those working in modern biology, including genetics, biochemistry and chemistry, and for those in modern crop protection science, whether governmental authorities, researchers in agrochemical companies, scientists at universities, conservationists, or managers in organizations and companies involved in improvements to agricultural production.

Download or read book QSAR and SPECTRAL SAR in Computational Ecotoxicology written by Mihai V. Putz and published by CRC Press. This book was released on 2012-07-19 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and pharmacologic levels through unitary formulation of the effector-receptor binding degree potential, including the logistic type by employing a computational algebraic quantitative structure-activity relationship (QSAR) model called SPECTRAL-SAR. It aims to minimize the residual recorded activities in the experiments that study the enzymic, ionic liquid, antagonists, and allosteric inhibition interactions. The book covers: The classic QSAR approach The new SPECTRAL-SAR approach How to draw SPECTRAL-SAR maps for predicting ecotoxicological mechanisms for a given series of toxicants and single or multi-species in an open system Biological activity as related to chemical reactivity through associate descriptors This book will be very useful in advanced courses on computational ecotoxicology, drug design and interaction, methods in quantum and computational chemistry, chemical molding, chemical bonding, and others.

Download or read book Quantitative Structure Activity Relationships in Drug Design Predictive Toxicology and Risk Assessment written by Roy, Kunal and published by IGI Global. This book was released on 2015-02-28 with total page 727 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative structure-activity relationships (QSARs) represent predictive models derived from the application of statistical tools correlating biological activity or other properties of chemicals with descriptors representative of molecular structure and/or property. Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment discusses recent advancements in the field of QSARs with special reference to their application in drug development, predictive toxicology, and chemical risk analysis. Focusing on emerging research in the field, this book is an ideal reference source for industry professionals, students, and academicians in the fields of medicinal chemistry and toxicology.

Download or read book Modern Crop Protection Compounds 3 Volume Set written by Wolfgang Kr¿mer and published by John Wiley & Sons. This book was released on 2012-01-17 with total page 1615 pages. Available in PDF, EPUB and Kindle. Book excerpt: This one-stop reference for everyone working in the agrochemical business is the leading reference in the field, with first-class authors from all major crop protection companies, including Bayer, Dow, Syngenta and BASF. In three volumes, one each on herbicides, fungicides and insecticides, it provides up-to-date information on the chemical properties, mode of action, range of application, industrial-scale synthesis and commercial products. The new edition has been updated and expanded by more than 50 new compounds and their mechanisms, for a complete picture of agrochemicals introduced since 1990. A truly comprehensive source of top quality information.

Download or read book Encyclopedia of Cell Biology written by and published by Academic Press. This book was released on 2015-08-07 with total page 2972 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Encyclopedia of Cell Biology, Four Volume Set offers a broad overview of cell biology, offering reputable, foundational content for researchers and students across the biological and medical sciences. This important work includes 285 articles from domain experts covering every aspect of cell biology, with fully annotated figures, abundant illustrations, videos, and references for further reading. Each entry is built with a layered approach to the content, providing basic information for those new to the area and more detailed material for the more experienced researcher. With authored contributions by experts in the field, the Encyclopedia of Cell Biology provides a fully cross-referenced, one-stop resource for students, researchers, and teaching faculty across the biological and medical sciences. Fully annotated color images and videos for full comprehension of concepts, with layered content for readers from different levels of experience Includes information on cytokinesis, cell biology, cell mechanics, cytoskeleton dynamics, stem cells, prokaryotic cell biology, RNA biology, aging, cell growth, cell Injury, and more In-depth linking to Academic Press/Elsevier content and additional links to outside websites and resources for further reading A one-stop resource for students, researchers, and teaching faculty across the biological and medical sciences

Download or read book Hayes Handbook of Pesticide Toxicology written by and published by Academic Press. This book was released on 2010-02-15 with total page 2407 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Handbook of Pesticide Toxicology is a comprehensive, two-volume reference guide to the properties, effects, and regulation of pesticides that provides the latest and most complete information to researchers investigating the environmental, agricultural, veterinary, and human-health impacts of pesticide use. Written by international experts from academia, government, and the private sector, the Handbook of Pesticide Toxicology is an in-depth examination of critical issues related to the need for, use of, and nature of chemicals used in modern pest management. This updated 3e carries on the book’s tradition of serving as the definitive reference on pesticide toxicology and recognizes the seminal contribution of Wayland J. Hayes, Jr., co-Editor of the first edition. Feature: Presents a comprehensive look at all aspects of pesticide toxicology in one reference work. Benefit: Saves researchers time in quickly accessing the very latest definitive details on toxicity of specific pesticides as opposed to searching through thousands of journal articles. Feature: Clear exposition of hazard identification and dose response relationships in each chapter featuring pesticide agents and actions Benefit: Connects the experimental laboratory results to real-life applications in human health, animal health and the environment. Feature: All major classes of pesticide considered. Benefit: Provides relevance to a wider variety of researchers who are conducting comparative work in pesticides or their health impacts. Feature: Different routes of exposure critically evaluated. Benefit: Connects the loop between exposure and harmful affects to those who are researching the affects of pesticides on humans or wildlife.

Download or read book Pharmacophore Perception Development and Use in Drug Design written by Osman F. Güner and published by Internat'l University Line. This book was released on 2000 with total page 598 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the early 1900s, Paul Ehrlich first defined pharmacophores as molecule frameworks that carry the essential features responsible for a drug's biological activity, and the modern definition is little changed. The 27 studies here begin by tracing the evolution of the concept in pharmaceutical research, then cover analog-based and receptor-based varieties, new algorithms, and the future of research. Among the specific topics: pharmacophores based on multiple common-feature alignments; modeling programs including HypoGen, DISCO, Catalyst, HipHop, GASP, Chem-X, Apex-3D, CoMFA; pharmacophore-based molecular docking, a technique for developing a pharmacophore model that accommodates inherent protein flexibility; and the effect of variable weights and tolerances on predictive model generation. Books in Print lists only one other book on the topic of pharmacophores. Annotation copyrighted by Book News, Inc., Portland, OR