Download or read book Three dimensional Chemical Structure Handling written by Peter Willett and published by . This book was released on 1991 with total page 241 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book From Chemical Topology to Three Dimensional Geometry written by Alexandru T. Balaban and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.
Download or read book Designing Bioactive Molecules written by Yvonne Connolly Martin and published by . This book was released on 1998 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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 1998-04-30 with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volumes 2 and 3 of the 3D QSAR in Drug Design series aim to review the progress being made in CoMFA and other 3D QSAR approaches since the publication of the highly successful first volume about four years ago. Volume 2 (Ligand-Protein Interactions and Molecular Similarity) divides into three sections dealing with Ligand-Protein Interactions, Quantum Chemical Models and Molecular Dynamics Simulations, and Pharmacophore Modelling and Molecular Similarity, respectively. Volume 3 (Recent Advances) is also divided into three sections, namely 3D QSAR Methodology: CoMFA and Related Approaches, Receptor Models and Other 3D QSAR Approaches, and 3D QSAR Applications. More than seventy distinguished scientists have contributed nearly forty reviews of their work and related research to these two volumes which are of outstanding quality and timeliness. These works present an up-to-date coverage of the latest developments in all fields of 3D QSAR.
Download or read book Molecular Similarity in Drug Design written by P.M. Dean and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Encyclopedia of Chemical Processing and Design written by John J. McKetta Jr and published by CRC Press. This book was released on 1993-08-27 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Written by engineers for engineers (with over 150 International Editorial Advisory Board members),this highly lauded resource provides up-to-the-minute information on the chemical processes, methods, practices, products, and standards in the chemical, and related, industries. "
Download or read book Topics in Stereochemistry written by Ernest L. Eliel and published by John Wiley & Sons. This book was released on 2009-09-17 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: This seminal series, first edited by Ernest Eliel, responsible for some of the major advances in stereochemistry and the winner of the ACS Priestley Medal in 1996, provides coverage of the major developments of the field of stereochemistry. The scope of this series is broadly defined to encompass all fields of chemical and biological sciences that are founded on molecular and supramolecular interactions. Insofar as chemical, physical, and biological properties are determined by molecular shape and structure, the importance of stereochemistry is fundamental to and consequential for all natural sciences. Topics in Stereochemistry serves as a multidisciplinary series that enriches all of chemistry. Aimed at advanced students, university professors and teachers as well as researchers in pharmaceutical, agricultural, biotechnological, polymer, materials, and fine chemical industries, Topics in Stereochemistry publishes definitive and scholarly reviews in stereochemistry and has long been recognized as the gold standard reference work in this field. Covering the effect of chirality on all aspects of molecular interaction from the fundamental physical chemical properties of molecules and their molecular physics to the application of chirality in new areas such as its applications in materials science, Topics in Stereochemistry explores a wide variety of properties, both physical and chemical of isomers with a view to their applications in a number of disciplines from biochemistry to materials science.
Download or read book Bayesian Methods in Structural Bioinformatics written by Thomas Hamelryck and published by Springer. This book was released on 2012-03-23 with total page 399 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an edited volume, the goal of which is to provide an overview of the current state-of-the-art in statistical methods applied to problems in structural bioinformatics (and in particular protein structure prediction, simulation, experimental structure determination and analysis). It focuses on statistical methods that have a clear interpretation in the framework of statistical physics, rather than ad hoc, black box methods based on neural networks or support vector machines. In addition, the emphasis is on methods that deal with biomolecular structure in atomic detail. The book is highly accessible, and only assumes background knowledge on protein structure, with a minimum of mathematical knowledge. Therefore, the book includes introductory chapters that contain a solid introduction to key topics such as Bayesian statistics and concepts in machine learning and statistical physics.
Download or read book Surface Organometallic Chemistry Molecular Approaches to Surface Catalysis written by Jean-Marie Basset and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface organometallic chemistry is a new field bringing together researchers from organometallic, inorganic, and surface chemistry and catalysis. Topics ranging from reaction mechanisms to catalyst preparation are considered from a molecular basis, according to which the "active site" on a catalyst surface has a supra-molecular character. This. the first book on the subject, is the outcome of a NATO Workshop held in Le Rouret. France, in May. 1986. It is our hope that the following chapters and the concluding summary of recommendations for research may help to provide a definition of surface organometallic chemistry. Besides catalysis. the central theme of the Workshop, four main topics are considered: 1) Reactions of organometallics with surfaces of metal oxides, metals. and zeolites; 2) Molecular models of surfaces, metal oxides, and metals; 3) Molecular approaches to the mechanisms of surface reactions; 4) Synthesis and modification of zeolites and related microporous solids. Most surface organometallic chemistry has been carried out on amorphous high-surf ace-area metal oxides such as silica. alumina. magnesia, and titania. The first chapter. contributed by KNOZINGER. gives a short summary of the structure and reactivity of metal oxide surfaces. Most of our understanding of these surfaces is based on acid base and redox chemistry; this chemistry has developed from X-ray and spectroscopic data, and much has been inferred from the structures and reactivities of adsorbed organic probe molecules. There are major opportunities for extending this understanding by use of well-defined (single crystal) oxide surfaces and organometallic probe molecules.
Download or read book Three Dimensional Microfabrication Using Two Photon Polymerization written by Tommaso Baldacchini and published by William Andrew. This book was released on 2019-10-31 with total page 766 pages. Available in PDF, EPUB and Kindle. Book excerpt: Three-Dimensional Microfabrication Using Two-Photon Polymerization, Second Edition offers a comprehensive guide to TPP microfabrication and a unified description of TPP microfabrication across disciplines. It offers in-depth discussion and analysis of all aspects of TPP, including the necessary background, pros and cons of TPP microfabrication, material selection, equipment, processes and characterization. Current and future applications are covered, along with case studies that illustrate the book's concepts. This new edition includes updated chapters on metrology, synthesis and the characterization of photoinitiators used in TPP, negative- and positive-tone photoresists, and nonlinear optical characterization of polymers. This is an important resource that will be useful for scientists involved in microfabrication, generation of micro- and nano-patterns and micromachining. Discusses the major types of nanomaterials used in the agriculture and forestry sectors, exploring how their properties make them effective for specific applications Explores the design, fabrication, characterization and applications of nanomaterials for new Agri-products Offers an overview of regulatory aspects regarding the use of nanomaterials for agriculture and forestry
Download or read book From Chemical Topology to Three Dimensional Geometry written by Alexandru T. Balaban and published by Springer Science & Business Media. This book was released on 1997-01-31 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt: Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Expert Systems in Chemistry Research written by Markus C. Hemmer and published by CRC Press. This book was released on 2007-12-13 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Expert systems allow scientists to access, manage, and apply data and specialized knowledge from various disciplines to their own research. Expert Systems in Chemistry Research explains the general scientific basis and computational principles behind expert systems and demonstrates how they can improve the efficiency of scientific workflows
Download or read book An Introduction to Chemoinformatics written by Andrew R. Leach and published by Springer Science & Business Media. This book was released on 2003-05-31 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to provide an introduction to the major techniques of chemoinformatics. It is the first text written specifically for this field. The first part of the book deals with the representation of 2D and 3D molecular structures, the calculation of molecular descriptors and the construction of mathematical models. The second part describes other important topics including molecular similarity and diversity, the analysis of large data sets, virtual screening, and library design. Simple illustrative examples are used throughout to illustrate key concepts, supplemented with case studies from the literature.
Download or read book Molecule Based Materials written by Lars Öhrström and published by Elsevier. This book was released on 2005-12-02 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: The properties of a material depend not only on the specific atoms and molecules it contains, but also on the arrangement of these in space. Many of these three-dimensional arrangements are described as "3D-nets" or "3D-networks". Molecule-Based Materials: The Structural Network Approach is about the synthesis, description, nomenclature and analysis of such nets and the relation of the nets to the physical properties of the materials. It introduces the mathematics, and includes a short guide to programs useful for retrieving, analysing and naming nets. Complete with illustrations and examples of coordination polymer and hydrogen bonded nets, this unique easy-to-read book examines all aspects of 3D nets and will undeniably prove itself valuable to newcomers, well-seasoned students and researchers working in crystallography, inorganic or organic chemistry. * Covers all aspects of molecule-based 3D nets, complete with 3D illustrations * Contains summary tables of all nets* Easy reading eliminates the need for background knowledge in crystallography or mathematics
Download or read book Computer Applications in Pharmaceutical Research and Development written by Sean Ekins and published by John Wiley & Sons. This book was released on 2006-07-11 with total page 840 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.
Download or read book Three Dimensional Confocal Microscopy Volume Investigation of Biological Specimens written by and published by Academic Press. This book was released on 2012-12-02 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: The integration of confocal microscopy and volume investigation has led to an unprecedented ability to examine spatial relationships between cellular structure and function. The goal of this book is to familiarize the reader with these new technologies and to demonstrate their applicability to a wide range of biological and clinical problems. Volume investigation Three-dimensional reconstruction Fluroescent probe design Biological applications of confocal microscopy, including calcium imaging, receptor movement, and diagnostic pathology Confocal data display and analysis Twenty-eight pages of color
