Qsar Rational Approaches To The Design Of Bioactive Compounds
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Qsar Rational Approaches To The Design Of Bioactive Compounds
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Author : C. Silipo
language : en
Publisher: Elsevier Publishing Company
Release Date : 1991
Qsar Rational Approaches To The Design Of Bioactive Compounds written by C. Silipo and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Medical categories.
Quantitative structure-activity relationships constitute a subject which has seen enormous growth in the past decade. Techniques which have been developed and used widely outside of medicinal chemistry are now used by those working with QSAR. These techniques employ powerful computers, molecular graphics systems and sophisticated software. Although QSAR techniques have been developed to optimize activities of known sets of analogs, recent methodologies suggest that these techniques can be useful in the modeling of new chemical entities. The contributions in this state-of-the-art volume cover a wide range of disciplines, tools and ideas which will be of interest to medicinal chemists, pharmacologists and biologists. The book gives an update of progress in the science of the quantitative approaches of the interface between chemistry, physical chemistry and biology-pharmacology. The use of molecular graphics, computational and conformational methods in drug research is extensively covered.
Qsar And Strategies In The Design Of Bioactive Compounds
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Author : Joachim Karl Seydel
language : en
Publisher: Wiley-VCH Verlag GmbH
Release Date : 1985
Qsar And Strategies In The Design Of Bioactive Compounds written by Joachim Karl Seydel and has been published by Wiley-VCH Verlag GmbH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with Agricultural chemistry categories.
3d Qsar In Drug Design
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Author : Hugo Kubinyi
language : en
Publisher: Springer Science & Business Media
Release Date : 1993-12-31
3d Qsar In Drug Design written by Hugo Kubinyi and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-12-31 with Medical categories.
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules. The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the present state of the art should enable scientists to further develop and improve these powerful new tools. The greater part of the book is dedicated to the theoretical background of 3D QSAR and to a discussion of CoMFA applications. In addition, various other 3D QSAR approaches and some CoMFA-related methods are described in detail. Thus, the book should be valuable for medicinal, agricultural and theoretical chemists, biochemists and biologists, as well as for other scientists interested in drug design. Its content, starting at a very elementary level and proceeding to the latest methodological results, the strengths and limitations of 3D QSAR approaches, makes the book also appropriate as a text for teaching and for graduate student courses.
Qsar And Drug Design New Developments And Applications
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Author : H. Timmerman
language : en
Publisher: Elsevier
Release Date : 1995-11-20
Qsar And Drug Design New Developments And Applications written by H. Timmerman and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-11-20 with Science categories.
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.
Qsar In Design Of Bioactive Compounds
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Author : M. Kuchar
language : en
Publisher:
Release Date : 1992
Qsar In Design Of Bioactive Compounds written by M. Kuchar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Drugs categories.
Qsar
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Author : Hugo Kubinyi
language : en
Publisher: John Wiley & Sons
Release Date : 2008-07-11
Qsar written by Hugo Kubinyi and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-11 with Science categories.
Finding the new remedy for a certain disease: an inspired goal. QSAR, an invaluable tool in drug design, aids scientists to attain this aim. This book is a long-awaited comprehensive text to QSAR and related approaches. It provides a practice-oriented introduction to the theory, methods and analyses for QSAR relationships, including modelling-based and 3D approaches. Hugo Kubinyi is a leading expert in QSAR. Readers will benefit from the author's 20 years of practical experience, from his careful calculations and recalculations of thousands of QSAR equations. Among the topics covered are: - physiocochemical parameters - quantitative models - statistical methods - Hansch analysis - Free Wilson analysis - 3D-QSAR approaches The book can readily be used as a textbook due to its high didactic value and numerous examples (over 200 equations and 1100 references).
Rational Approaches To Structure Activity And Ecotoxicology Of Agrochemicals
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Author : Wilfried Draber
language : en
Publisher: CRC Press
Release Date : 1992-07-14
Rational Approaches To Structure Activity And Ecotoxicology Of Agrochemicals written by Wilfried Draber and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992-07-14 with Technology & Engineering categories.
This book presents discussions of the most important aspects in the development of agrochemicals. The book covers such broad areas as structure activity and ecotoxicological analyses in comprehensive reviews for general methods and chronicles for individual examples. Topics in structure-activity relationships include how to combine submolecular structures of pharmacological interests and modify them according to chemorational models with computer-aided procedures such as the traditional Hansch-type QSAR, the sequential, simplex optimization, and molecular modeling. Topics in the ecotoxicology of organo phosphorus compounds are discussed in terms of the quantitative structure-toxicity relationship (QSTR). Chronicles of molecular orbital methodology in predicting environmental fates of agrochemicals are also provided. This volume will be invaluable for researchers in the agrochemical and pharmaceutical industries.
Oncology Breakthroughs In Research And Practice
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Author : Management Association, Information Resources
language : en
Publisher: IGI Global
Release Date : 2016-06-29
Oncology Breakthroughs In Research And Practice written by Management Association, Information Resources and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-29 with Medical categories.
Advancements in cancer diagnosis and treatment have extended the lives of many patients facing numerous types of cancer over the years. Research on best practices, new drug development, early identification, and treatment continues to advance with the ultimate goal of uncovering a cure for cancer in all its forms. Oncology: Breakthroughs in Research and Practice features international perspectives on cancer identification, treatment, and management methodologies in addition to patient considerations and outlooks for the future. This collection of emerging research provides valuable insight for researchers, graduate-level students, and professionals in the medical field.
Molecular Similarity In Drug Design
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Author : P.M. Dean
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Similarity In Drug Design written by P.M. Dean and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Molecular similarity searching is fast becoming a key tool in organic chemistry. In this book, the editor has brought together an international team of authors, each working at the forefront of this technology, providing a timely and concise overview of current research. The chapters focus principally on those methods which have reached sufficient maturity to be of immediate practical use in molecular design.
Multi And Megavariate Data Analysis Basic Principles And Applications
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Author : L. Eriksson
language : en
Publisher: Umetrics Academy
Release Date : 2013-07-01
Multi And Megavariate Data Analysis Basic Principles And Applications written by L. Eriksson and has been published by Umetrics Academy this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-07-01 with Mathematics categories.
To understand the world around us, as well as ourselves, we need to measure many things, many variables, many properties of the systems and processes we investigate. Hence, data collected in science, technology, and almost everywhere else are multivariate, a data table with multiple variables measured on multiple observations (cases, samples, items, process time points, experiments). This book describes a remarkably simple minimalistic and practical approach to the analysis of data tables (multivariate data). The approach is based on projection methods, which are PCA (principal components analysis), and PLS (projection to latent structures) and the book shows how this works in science and technology for a wide variety of applications. In particular, it is shown how the great information content in well collected multivariate data can be expressed in terms of simple but illuminating plots, facilitating the understanding and interpretation of the data. The projection approach applies to a variety of data-analytical objectives, i.e., (i) summarizing and visualizing a data set, (ii) multivariate classification and discriminant analysis, and (iii) finding quantitative relationships among the variables. This works with any shape of data table, with many or few variables (columns), many or few observations (rows), and complete or incomplete data tables (missing data). In particular, projections handle data matrices with more variables than observations very well, and the data can be noisy and highly collinear. Authors: The five authors are all connected to the Umetrics company (www.umetrics.com) which has developed and sold software for multivariate analysis since 1987, as well as supports customers with training and consultations. Umetrics' customers include most large and medium sized companies in the pharmaceutical, biopharm, chemical, and semiconductor sectors.