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Chemoinformatics : a textbook /

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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 stru...

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Bibliographic Details
Other Authors: Gasteiger, J. (Johann), Engel, Thomas, Dr
Format: Book
Language:English
Published: Weinheim : Wiley-VCH ; [2003]
Subjects:
Cheminformatics.
Combinatorial Chemistry Techniques
Molecular Conformation
Cheminformatics
Chimio-informatique.
Chimie > Informatique.
Chemical databases
Chemistry
chemische reacties
chemical reactions
computer software
databanken
databases
gegevensanalyse
data analysis
chemische eigenschappen
chemical properties
voorspelling
prediction
structuuractiviteitsrelaties
structure activity relationships
synthese
synthesis
Chemistry (General)
Chemie (algemeen)
Internet Resources.
Online Access:Table of contents
https://doi.org/10.1002/3527601643
Renseignements biographiques sur les auteurs
Description de l'ouvrage par l'éditeur
Contributor biographical information
Publisher description
Description
Summary: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.
Physical Description:xxx, 649 pages : illustrations, portraits ; 25 cm
Bibliography:Includes bibliographical references and index.
ISBN:3527306811
9783527306817
DOI:10.1002/3527601643
Access:Access restricted to authorized subscribers.