Optimize Your Chemical DatabaseDesign and Use of Relational Databases in Chemistry helps programmers and users improve their ability to search and manipulate chemical structures and information, especially when using chemical database "cartridges". It illustrates how the organizational, data integrity, and extensibility properties of relational dat
Relational Database Design and Implementation: Clearly Explained, Fourth Edition, provides the conceptual and practical information necessary to develop a database design and management scheme that ensures data accuracy and user satisfaction while optimizing performance. Database systems underlie the large majority of business information systems. Most of those in use today are based on the relational data model, a way of representing data and data relationships using only two-dimensional tables. This book covers relational database theory as well as providing a solid introduction to SQL, the international standard for the relational database data manipulation language. The book begins by reviewing basic concepts of databases and database design, then turns to creating, populating, and retrieving data using SQL. Topics such as the relational data model, normalization, data entities, and Codd's Rules (and why they are important) are covered clearly and concisely. In addition, the book looks at the impact of big data on relational databases and the option of using NoSQL databases for that purpose. - Features updated and expanded coverage of SQL and new material on big data, cloud computing, and object-relational databases - Presents design approaches that ensure data accuracy and consistency and help boost performance - Includes three case studies, each illustrating a different database design challenge - Reviews the basic concepts of databases and database design, then turns to creating, populating, and retrieving data using SQL
Fully revised and updated, Relational Database Design, Second Edition is the most lucid and effective introduction to relational database design available. Here, you'll find the conceptual and practical information you need to develop a design that ensures data accuracy and user satisfaction while optimizing performance, regardless of your experience level or choice of DBMS. Supporting the book's step-by-step instruction are three case studies illustrating the planning, analysis, and design steps involved in arriving at a sound design. These real-world examples include object-relational design techniques, which are addressed in greater detail in a new chapter devoted entirely to this timely subject. * Concepts you need to master to put the book's practical instruction to work. * Methods for tailoring your design to the environment in which the database will run and the uses to which it will be put. * Design approaches that ensure data accuracy and consistency. * Examples of how design can inhibit or boost database application performance. * Object-relational design techniques, benefits, and examples. * Instructions on how to choose and use a normalization technique. * Guidelines for understanding and applying Codd's rules. * Tools to implement a relational design using SQL. * Techniques for using CASE tools for database design.
Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. - Presents exercises with solutions to aid readers in validating their own protocol - Brings a thorough interpretation of results of each exercise to help readers compare them to their own study - Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study
This book constitutes the Proceedings of the second conference in the series 'Chemical Structures: The International Language of Chemistry' which was held at Leeuwenhorst Congress Centre, Noordwijkerhout, in the Netherlands, between June 3 and June 7, 1990. The conference was jointly sponsored by the Chemical Structure Association; the American Chemical Society Division of Chemical Information; the Royal Netherlands Chemical Society; and the Chemical Infor mation Groups of the Royal Society of Chemistry and the German Chemical Society. The purpose of the conference was to bring together experts and an international professional audience to discuss and to further basic and applied research and development in the processing, storage, retrieval, and use of chemical structures; to focus international attention on the importance of chemical information and the vital research being carried out in chemical information science; and to foster co operation among major chemical information organisations throughout the world. Subjects covered included structure-property correlations, spectral database systems, chemical nomenclature, generic structures, stereochemistry, substructure search systems, connection table formats, ring perception, information integration, three-dimensional substructure searching, similarity searching, and systems for handling chemical reaction information. All the papers were peer-reviewed or given by invited speakers. Many internationally recognised teams in the field of chemical structure handling are represented in the chapters of this book.
Covers the important requirements of teaching databases with a modular and progressive perspective. This book can be used for a full course (or pair of courses), but its first half can be profitably used for a shorter course.
Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology
""Frontiers in Medicinal Chemistry" is an Ebook series devoted to the review of areas of important topical interest to medicinal chemists and others in allied disciplines. "Frontiers in Medicinal Chemistry" covers all the areas of medicinal chemistry, incl"
The impact of computers on all rea1ms of Chemistry has been one of the most important factors in the deve10pment of this science during the last years. In recognition of this fact, in 1971, the "First International Conference on Computers in Chemi ca1 Research and Education", was held at DeKa1b, I11inois, USA. A second Conference took p1ace in Ljub1jana, Yugos1avia in 1973 and this third Conference in Caracas, Venezuela, in 1976. The aim of these conferences was to provide a high level forum for the 1eading researchers to exchange information at the frontiers of present day computer app1ications to the different fie1ds of Chemistry. The present "Third International Conference on Computers in Chemica1 Research, Education and Techno10gy", whose proceedings are pub1ished in the present vo1ume, was conceived, by means of aseries of invited 1ectures, as a survey of the present-date state of the art in some of the most relevant areas of computer app1ications in Chemistry.
