Qsar In Design Of Bioactive Compounds
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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.
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 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 In Design Of Bioactive Compounds
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Author : M. Kuchar
language : en
Publisher:
Release Date : 1984
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 1984 with Clinical chemistry categories.
Bioactive Compound Design
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Author : Martyn Glenn Ford
language : en
Publisher:
Release Date : 1996
Bioactive Compound Design written by Martyn Glenn Ford and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Bioactive compounds categories.
Although many valuable products have resulted from this approach, recent developments in information technology, mathematical algorithms and robotics appear to offer alternative approaches which may eventually prove to be more cost-effective. This book describes the impact that these new design procedures are having on the discovery process.
Designing Bioactive Molecules
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Author : Yvonne Connolly Martin
language : en
Publisher:
Release Date : 1998
Designing Bioactive Molecules written by Yvonne Connolly Martin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Biomolecules categories.
Three-dimensional structural information often provides the key to dis covering or designing bioactive molecules and compounds. This volume c overs the principal computational techniques for processing three-dime nsional structures of small molecules and compounds. It describes data base construction and searching, analysis of structure-activity relati onships by pharmacophore mapping and QSAR, prediction of biological po tency of small molecules and compounds by QSAR and by docking to macro molecular targets. The book also includes a chapter on de novo design of ligands to fit a macromolecular target.
3d Qsar In Drug Design
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Author : Hugo Kubinyi
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-04-11
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 2006-04-11 with Science categories.
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.
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.
Trends In Qsar And Molecular Modelling 92
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Author : C.G. Wermuth
language : en
Publisher: Springer
Release Date : 1993-09-30
Trends In Qsar And Molecular Modelling 92 written by C.G. Wermuth and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-09-30 with Science categories.
This edition of the Proceedings of the 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modelling held from September 7-11, 1992 in Strasbourg, France deals with various areas of structure-activity relationships and their applications in the design of new drugs. The approximately 175 contributions in the book highlight the interdisciplinary approach between QSAR, molecular modelling and databank-based research in the design and development process of new drug candidates, and demonstrates the efficacy of these techniques by introducing rationalization at a very early stage in the discovery of bioactive compounds. Internationally renowned specialists review methodologies in the field of SAR concepts and computer-assisted drug design, covering such topics as: De novo design X-ray and NMR-based drug design Parameters and interactions. Molecular modelling Molecular similarity 3D QSAR.
Exploring Qsar
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Author : Albert Leo
language : en
Publisher:
Release Date : 1995
Exploring Qsar written by Albert Leo and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with categories.