Fundamentals Of Molecular Similarity
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Author |
: Ramon Carbó-Dorca |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 365 |
Release |
: 2013-04-17 |
ISBN-10 |
: 9781475732733 |
ISBN-13 |
: 1475732732 |
Rating |
: 4/5 (33 Downloads) |
Synopsis Fundamentals of Molecular Similarity by : Ramon Carbó-Dorca
In recent years the fundamental concepts and applied methodologies of molecular similarity analysis have experienced a revolutionary development. Motivated by the increased degree of understanding of elementary molecular properties on the levels ranging from fundamental quantum chemistry to the complex interactions of biomolecules, and aided by the spectacular progress in computer technology and access to computer power, the area has opened up to many new ideas and new approaches. This book covers topics in quantum similarity approaches, electron density shape analysis methods, and it provides better theoretical understanding of molecular similarity. Additionally, quantitative shape analysis, especially activity relations (QShAR) and the prediction of the pharmacological or toxicological effects of molecules in the related context of quantum QSAR (QQSAR). This volume written by the experts in the various subfields of molecular similarity, provides a collection of the most recent ideas, advances, and methodologies. It is the hope of the Editors that by representing these topics within a single volume, the readers will find a balanced overview of the status of the field. We also hope that the book will serve as a tool for selecting and assessing the best approach for various new types of problems of molecular similarity that may arise and it will provide a set of easy references for further studies and applications.
Author |
: Mark A. Johnson |
Publisher |
: Wiley-Interscience |
Total Pages |
: 420 |
Release |
: 1990-09-24 |
ISBN-10 |
: MINN:31951D00090195W |
ISBN-13 |
: |
Rating |
: 4/5 (5W Downloads) |
Synopsis Concepts and Applications of Molecular Similarity by : Mark A. Johnson
Offers authoritative overviews of topics related to the definition, computation and application of molecular similarity and emphasizes current research trends with molecular similarity as the unifying concept. Introduces and defines the concept of molecular similarity and explains how it can be used to explore the data containing 2-D and 3-D chemical information. Addresses the basic problem of relating chemical structures to their associated chemical and biological properties. Final chapters illustrate the use of similarity arguments in the study of chemical reaction pathways and present theoretical approaches to the concept of molecular similarity.
Author |
: Ramón Carbó |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 342 |
Release |
: 1995-07-31 |
ISBN-10 |
: 0792333098 |
ISBN-13 |
: 9780792333098 |
Rating |
: 4/5 (98 Downloads) |
Synopsis Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches by : Ramón Carbó
Similarities in chemical reactivity depend on molecular properties, and are ultimately dependent on the similarities of electronic structures. Fundamentally, quantum chemical similarities are manifested in similarities of molecular behaviour. This book covers both the quantum chemical origins and the methods of phenomenological descriptions of molecular similarity. The emphasis on reactivity is a unique feature. The exposition of computational methods and the prediction of reactivities, as well as the description of actual computer programs constitute important aspects of the book. Specific applications in drug design and techniques for the interpretation of the roles of functional groups in reactivity are of interest in molecular engineering. The selection of topics provides a detailed and balanced introduction to the field of similarity-based assessment of chemical reactivity. For researchers and graduate students in both fundamental chemistry and applied fields, such as biochemistry, pharmacology and drug design.
Author |
: R. Carbo-Dorca |
Publisher |
: Elsevier |
Total Pages |
: 305 |
Release |
: 1996-12-17 |
ISBN-10 |
: 9780080552712 |
ISBN-13 |
: 0080552714 |
Rating |
: 4/5 (12 Downloads) |
Synopsis Advances in Molecular Similarity by : R. Carbo-Dorca
The aim of this text is to provide reviews and monographs on topics involving molecular similarity, ranging from the fundamental physical properties underlying molecular behaviour to applications in industrially important fields such as pharmaceutical drug design and molecular engineering. The editors hope that this series will encourage new ideas and approaches, help to systematize the rapidly accumulating new chemical information, and make chemistry better understood and better applied.
Author |
: Anton Amann |
Publisher |
: Springer Science & Business Media |
Total Pages |
: 247 |
Release |
: 2013-06-29 |
ISBN-10 |
: 9781489902122 |
ISBN-13 |
: 1489902120 |
Rating |
: 4/5 (22 Downloads) |
Synopsis Fundamental Principles of Molecular Modeling by : Anton Amann
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
Author |
: Ramon Carbó-Dorca |
Publisher |
: |
Total Pages |
: |
Release |
: 1996 |
ISBN-10 |
: OCLC:637518363 |
ISBN-13 |
: |
Rating |
: 4/5 (63 Downloads) |
Synopsis Advances in Molecular Similarity by : Ramon Carbó-Dorca
Author |
: Kali D. Sen |
Publisher |
: Springer |
Total Pages |
: 121 |
Release |
: 2014-03-12 |
ISBN-10 |
: 3662148900 |
ISBN-13 |
: 9783662148907 |
Rating |
: 4/5 (00 Downloads) |
Synopsis Molecular Similarity I by : Kali D. Sen
Author |
: Kali D. Sen |
Publisher |
: Springer |
Total Pages |
: 142 |
Release |
: 2014-03-12 |
ISBN-10 |
: 3662148889 |
ISBN-13 |
: 9783662148884 |
Rating |
: 4/5 (89 Downloads) |
Synopsis Molecular Similarity II by : Kali D. Sen
Author |
: R. Carbo-Dorca |
Publisher |
: JAI Press |
Total Pages |
: 0 |
Release |
: 1996-12-17 |
ISBN-10 |
: 0762301317 |
ISBN-13 |
: 9780762301317 |
Rating |
: 4/5 (17 Downloads) |
Synopsis Advances in Molecular Similarity by : R. Carbo-Dorca
The aim of this text is to provide reviews and monographs on topics involving molecular similarity, ranging from the fundamental physical properties underlying molecular behaviour to applications in industrially important fields such as pharmaceutical drug design and molecular engineering. The editors hope that this series will encourage new ideas and approaches, help to systematize the rapidly accumulating new chemical information, and make chemistry better understood and better applied.
Author |
: |
Publisher |
: |
Total Pages |
: 0 |
Release |
: 1996 |
ISBN-10 |
: OCLC:505113416 |
ISBN-13 |
: |
Rating |
: 4/5 (16 Downloads) |
Synopsis Advances in Molecular Similarity by :