Download or read book Computer Handling of Chemical Structure Information written by Michael F. Lynch and published by . This book was released on 1971 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer handling of chemical structure information written by Michael F. Lynch and published by . This book was released on 1968 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Computer Software Applications in Chemistry written by Peter C. Jurs and published by John Wiley & Sons. This book was released on 1996-02-02 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended specifically for practicing professionals and advanced students in chemistry and biochemistry, this invaluable book covers the full range of the computer applications in these fields, including numerical, nonnumerical, and graphics applications. New material includes multiple linear regression using MREG, principal-components analysis, Monte Carlo integration, parameterization of the force field, and molecular modeling software. Major areas covered include: * Error, Statistics, and the Floating-Point Number System * Curve Fitting * Multiple Linear Regression Analysis * Numerical Integration * Numerical Solution of Differential Equations * Matrix Methods and Linear Equation Systems * Random Numbers and Monte Carlo Simulation * Simplex Optimization * Chemical Structure Information Handling * Mathematical Graph Theory * Substructure Searching * Molecular Mechanics and Molecular Dynamics * Pattern Recognition * Artificial Intelligence and Expert Systems * Spectroscopic Library Searching and Structure Elucidation * Graphical Display of Data and of Molecules Whatever your area of research, this comprehensive, lucidly written book offers an indispensable resource of computer applications that will facilitate your work.
Download or read book Computer Representation and Manipulation of Chemical Information written by W. Todd Wipke and published by . This book was released on 1981 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Structures written by Wendy A. Warr and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the Proceedings of the conference 'Chemical Structures: The International Language of Chemistry' which was held at Leeuwenhorst Congress Centre, Noordwijkerhout in the Netherlands, between May 31 and June 4, 1987. The conference was jointly sponsored by the Chemical Structure Association, the American Chemical Society Division of Chemical Information, and the Chemical Information 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 in North America and Europe. Subjects covered included integrated in-house databases, substructure searching methodology, spectral databanks, new technologies (microcomputers, CD-ROM, parallel processing and expert systems) and chemical reactions. The keynote address was given by Mike Lynch of the University of Sheffield. In this, the opening chapter of the book, Mike discusses progress made in chemical information science in the last fifteen years and describes his own approach to research. In a plenary session, Myra Williams of Merck, Sharp and Dohme considered future trends from the point of view of the information manager and strategic planner in industry. She emphasises the need for integration, open architecture and a uniform user interface.
Download or read book Computer Handling of Generic Chemical Structures written by JM Barnard (ed) and published by . This book was released on 1986 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Structure Information Handling written by National Research Council (U.S.). Committee on Chemical Information and published by . This book was released on 1969 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Survey of Computer Programs for Chemical Information Searching written by Ethel C. Marden and published by . This book was released on 1961 with total page 92 pages. Available in PDF, EPUB and Kindle. Book excerpt: The authors describe twelve computer systems for searching chemical literature. Preceding discussion of the computer systems, a brief description is given of different chemical notation systems, indexing and abstracting procedures, punched card systems (which were the forerunners of the computer systems), and special purpose literature searching machines. A short discussion of the difficulties (linguistic and other) attendant to literature searching terminates the paper.
Download or read book File Organization for a Large Chemical Information System written by Ruth Anderson and published by . This book was released on 1966 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt: The report describes a file structure which combines list-processing concepts (for handling variable length information records) with standard serial record arrangements (for identification information).The file organization was designed for a large chemical information system and *includes both well-structured and unstructured (amorphous) information.An investigation was made of representative data inputs from the Department of the Army.The data to be put into the file, the nature of the file structure, and the necessary programs for manipulation of file information have been considered as interdependent parts of a total system.Computer programs have been initiated to test the validity of the proposed approach.(Author).
Download or read book File Organization for a Large Chemical Information System written by Institute for Applied Technology (U.S.) and published by . This book was released on 1966 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Handling of Generic Chemical Structures written by John M. Barnard and published by . This book was released on 1984 with total page 230 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computers and Chemical Structure Information Series written by and published by . This book was released on 1991 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Structures 2 written by Wendy A. Warr and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Progress in the Chemical Information System Program written by and published by . This book was released on 1977 with total page 78 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Graph Theory written by Nenad Trinajstic and published by Routledge. This book was released on 2018-05-11 with total page 268 pages. Available in PDF, EPUB and Kindle. Book excerpt: New Edition! Completely Revised and Updated Chemical Graph Theory, 2nd Edition is a completely revised and updated edition of a highly regarded book that has been widely used since its publication in 1983. This unique book offers a basic introduction to the handling of molecular graphs - mathematical diagrams representing molecular structures. Using mathematics well within the vocabulary of most chemists, this volume elucidates the structural aspects of chemical graph theory: (1) the relationship between chemical and graph-theoretical terminology, elements of graph theory, and graph-theoretical matrices; (2) the topological aspects of the Hückel theory, resonance theory, and theories of aromaticity; and (3) the applications of chemical graph theory to structure-property and structure-activity relationships and to isomer enumeration. An extensive bibliography covering the most relevant advances in theory and applications is one of the book's most valuable features. This volume is intended to introduce the entire chemistry community to the applications of graph theory and will be of particular interest to theoretical organic and inorganic chemists, physical scientists, computational chemists, and those already involved in mathematical chemistry.
Download or read book Chemical Nomenclatures and the Computer written by D. J. Polton and published by *Research Studies Press. This book was released on 1993-12-14 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proposals for an international system of chemical nomenclature were first made at Geneva in 1892. A hundred years on, this book examines the present international standard and the more important of other nomenclatures now in use. Most of them have not been developed with computer processing in mind; by using the computer to examine them, the author is able to highlight any disadvantages, and to suggest how nomenclature systems ought perhaps to be developing. A new nodal numbering method for the chemical graph is proposed. The methods and proposals are equally applicable to organic and inorganic structures.
