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Author : W. Todd Wipke
Publisher :
ISBN 13 :
Total Pages : 348 pages
Book Rating : 4.E/5 ( download)
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:
Author : noordwijkerhout N.a.t.o. advanced study institute (1973. w)
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)
Download or read book Computer Representation and Manipulation of Chemical Information: Proceedings of the Nato Advanced Study Institute Held June 4-15, 1973, at the Leeuwenhorst Congress Center, Noordwijkerhout, the Netherlands, Sponsored by the Scientific Affairs Division of Nato and the Chemical Notation Association written by noordwijkerhout N.a.t.o. advanced study institute (1973. w) and published by . This book was released on with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 328 pages
Book Rating : 4.:/5 (488 download)
Download or read book Computer Representation and Manipulation of Chemical Information written by and published by . This book was released on 1974 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Harry R. Collier
Publisher : Springer Science & Business Media
ISBN 13 : 3642751652
Total Pages : 309 pages
Book Rating : 4.6/5 (427 download)
Download or read book Chemical Information written by Harry R. Collier and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains the full text of twenty-six of the thirty-one papers given at the Montreux 1989 International Chemical Information Conference in Montreux, Switzerland between 26 and 28 September 1989. The five papers omitted were due to their late completion and subsequent unavailability for incorporation in this volume. Of the twenty-six papers included, all but three were delivered to Infonortics in diskette form between 1 July and 1 August 1989; by 17 August 1989 the 310 pages of text and figures were typeset and scanned graphics inserted. By 26 September 1989 all copies were printed in England and delivered to the Montreux Congress Centre in Switzerland. The rapid and efficient process reflects creditably on all parties concerned, especially on the authors who followed assiduously the detailed instructions concerning presentation they were given. Conventional publishing is not so rapid, but conventional publishing does give time for authors to proof-read their texts, make correc tions and add material, and gives time for the publisher to index the work thoroughly and completely. The current Proceedings have not been proof-read by the authors, nor is there an index. I hope that readers will appreciate this trade-off between currency and thoroughness and will recognise some of the limitations imposed by publishing proceedings at the same time the conference is held. H.R. Collier Infonortics Ltd., August 1989 Caine, Wiltshire, England v Table of Contents Chemical information as a commercial marketplace E. Garfield ..•.•.•••..........•.•...•............•.•...•.
Author : E. Ludena
Publisher : Springer Science & Business Media
ISBN 13 : 1468424068
Total Pages : 475 pages
Book Rating : 4.4/5 (684 download)
Download or read book Computers in Chemical Education and Research written by E. Ludena and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 475 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Johann Gasteiger
Publisher : John Wiley & Sons
ISBN 13 : 3527606505
Total Pages : 680 pages
Book Rating : 4.5/5 (276 download)
Download or read book Chemoinformatics written by Johann Gasteiger and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: This first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Edited by Johann Gasteiger and Thomas Engel, the book provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands-on" approach with step-by-step tutorials and detailed descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike. For a more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately. Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society for Achievements in Computer Chemistry, and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997. Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is a specialist in chemoinformatics.
Author : Mario Marsili
Publisher : CRC Press
ISBN 13 : 1351367455
Total Pages : 317 pages
Book Rating : 4.3/5 (513 download)
Download or read book Computer Chemistry written by Mario Marsili and published by CRC Press. This book was released on 2017-07-28 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.
Author : R Belcher
Publisher : Elsevier
ISBN 13 : 1483285626
Total Pages : 489 pages
Book Rating : 4.4/5 (832 download)
Download or read book Computers in Analytical Chemistry written by R Belcher and published by Elsevier. This book was released on 2013-10-22 with total page 489 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is primarily intended for readers who have some background in chemistry and who wish to find out more about the ways in which computers and electronics are influencing the techniques of observing chemical systems, the acquisition of data, its storage, and its transmission from one location to another. Many important concepts - such as interfacing, data collection, data bases, information services and computer networks - are covered in an easily assimilated and comprehensive way.
Author : S. W. Bergman
Publisher : CRC Press
ISBN 13 : 1000148734
Total Pages : 273 pages
Book Rating : 4.0/5 (1 download)
Download or read book Statistical Methods for Pharmaceutical Research Planning written by S. W. Bergman and published by CRC Press. This book was released on 2020-10-29 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on statistical methods which impinge more or less directly on the decisions that are made during the course of pharmaceutical and agro-chemical research, considering the four decision-making areas.
Author : Kurt Varmuza
Publisher : Springer Science & Business Media
ISBN 13 : 3642931553
Total Pages : 232 pages
Book Rating : 4.6/5 (429 download)
Download or read book Pattern Recognition in Chemistry written by Kurt Varmuza and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica~ instruments - and some times also controlling of instruments - by a computer are principally solved since many years. Availability of microcomputers made these tasks also feasible from the economic point of view. Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Harm less numerical experiments on this topic led to passionate discussions about the theme "which jobs cannot be done by a computer but only by human brain ?~. If this question is useful at all it should not be ans wered a priori. Application of computers in chemistry is a matter of utility, sometimes it is a social problem, but it is never a question of piety for the human brain. Automated instruments and the necessity to work on complex pro blems enhanced the development of automatic methods for the reduction and interpretation of large data sets. Numerous methods from mathematics, statistics, information theory, and computer science have been exten sively investigated for the elucidation of chemical information; a new discipline "chemometrics" has been established. Three different approaches have been used for computer-assisted interpretations of chemical data. 1. Heuristic methods try to formu late computer programs working in a similar way as a chemist would solve the problem. 2.
Author : W. Boyd Rayward
Publisher : Information Today, Inc.
ISBN 13 :
Total Pages : 444 pages
Book Rating : 4./5 ( download)
Download or read book The History and Heritage of Scientific and Technological Information Systems written by W. Boyd Rayward and published by Information Today, Inc.. This book was released on 2004 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasis for the second conference on the history of information science systems was on scientific and technical information systems in the period from the Second World War up through the early 1990s. These proceedings present the papers of historians of science and technology, information scientists, and scientists in other fields on a wide range of topics: informatics in chemistry; biology and medicine; information developments in multinational, industrial, and military settings; biographical studies of pioneering individuals; and the transformation of information systems and formats in the twentieth century.
Author : Jörg Siekmann
Publisher : Springer Science & Business Media
ISBN 13 : 3662023288
Total Pages : 332 pages
Book Rating : 4.6/5 (62 download)
Download or read book GWAI-81 written by Jörg Siekmann and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : James Devillers
Publisher : CRC Press
ISBN 13 : 9789056992392
Total Pages : 826 pages
Book Rating : 4.9/5 (923 download)
Download or read book Topological Indices and Related Descriptors in QSAR and QSPAR written by James Devillers and published by CRC Press. This book was released on 2000-03-09 with total page 826 pages. Available in PDF, EPUB and Kindle. Book excerpt: Topological Indices and Related Descriptors in QSAR and QSPAR reviews the state of the art in this field and highlights the important advances in the generation of descriptors calculated directly from the structure of molecules. This long-awaited comprehensive book provides all the necessary information to calculate and use these descriptors for deriving structure-activity and structure-property relationships. Written by leading experts in the field, this book discusses the physicochemical significance, strengths, and weaknesses of these indices and presents numerous examples of applications. This book will be a valuable reference for anyone involved in the use of QSAR and QSPAR in the pharmaceutical, applied chemical, and environmental sciences. It is also suitable for use as a supplementary textbook on related graduate level courses.
Author : Jan H. Noordik
Publisher : IOS Press
ISBN 13 : 9781586034504
Total Pages : 236 pages
Book Rating : 4.0/5 (345 download)
Download or read book Cheminformatics Developments written by Jan H. Noordik and published by IOS Press. This book was released on 2004 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The developments in information technology in the last decades of the 20th century have fundamentally changed the way in which scientific information is being communicated and used. A scientific discipline where the impact of these changes has been particularly significant is (bio)chemistry. Up to less than 25 years ago, molecular modeling was a hardly-existent computational chemistry niche, only practiced at those few institutes that could afford the very expensive specialised hardware. Also rapid access to not only the primary literature but, possibly even more importantly, to the factual primary data about millions of chemical compounds, to reactions, structures, and spectra, and to the genomic data of various organisms including humans, can only be provided by digital storage and retrieval techniques. This book seeks to document some key developments in computerized chemical information in the last two decades of the past century. To put the developments into a historic perspective, the three opening chapters present review articles on the founding, the history, and the operation of three different representative European computer chemistry institutes.These introductory chapters are personal accounts of history and development and clearly show the different approaches and aims in setting up these (academic) research and/or service facilities for computer-aided chemistry and cheminformatics. The following chapters form a bridge to recent cheminformatics research by covering selected topics in the fields of organic synthesis, drug design, crystallography, modeling and chemistry teaching.
Author : Rainer Franke
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3112706994
Total Pages : 412 pages
Book Rating : 4.1/5 (127 download)
Download or read book Theoretical Drug Design Methods written by Rainer Franke and published by Walter de Gruyter GmbH & Co KG. This book was released on 1984-12-31 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: No detailed description available for "Theoretical Drug Design Methods".
Author : Thomas Engel
Publisher : John Wiley & Sons
ISBN 13 : 3527331093
Total Pages : 611 pages
Book Rating : 4.5/5 (273 download)
Download or read book Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-12-10 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: Von den Grundlagen zu Methoden - dieses Fachbuch, übersichtlich und didaktisch klar gegliedert, ist eine maßgebliche Handreichung mit allem Wissenswerten und Erläuterungen der Tools in diesem Fachgebiet.
Author : D. A. Waterman
Publisher : Academic Press
ISBN 13 : 1483268381
Total Pages : 673 pages
Book Rating : 4.4/5 (832 download)
Download or read book Pattern-Directed Inference Systems written by D. A. Waterman and published by Academic Press. This book was released on 2014-05-10 with total page 673 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pattern-Directed Inference Systems provides a description of the design and implementation of pattern-directed inference systems (PDIS) for various applications. The book also addresses the theoretical significance of PDIS for artificial intelligence and cognitive psychology. The book is divided into eight sections. The introduction provides a brief overview of pattern-directed inference systems, including a historical perspective, a review of basic concepts, and a survey of work in this area. Subsequent chapters address topics on architecture and design, methods for accessing and controlling rule based systems, methods for obtaining adaptive behavior via rule-based systems and cognitive modeling. Constructing models of human information processing, natural language understanding and multilevel systems and complexity are described as well. The last section discusses the earlier chapters in the book and provides a unifying set of principles for the PDIS formalism. Computer scientists, psychologists, engineers, and researchers in artificial intelligence will find the book very informative.
