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- catalog abstract "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.".
- catalog contributor b13009591.
- catalog contributor b13009592.
- catalog created "c2003.".
- catalog date "2003".
- catalog date "c2003.".
- catalog dateCopyrighted "c2003.".
- catalog description "Includes bibliographical references and index.".
- catalog description "Representation of chemical compounds -- Representation of chemical reactions -- The data -- Databases and data sources in chemistry -- Searching chemical structures -- Calculation of physical and chemical data -- Calculation of structure descriptors -- Methods for data analysis -- Applications -- Future directions.".
- catalog description "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.".
- catalog extent "xxx, 649 p. :".
- catalog identifier "3527306811 (acid-free paper)".
- catalog issued "2003".
- catalog issued "c2003.".
- catalog language "eng".
- catalog publisher "Weinheim : Wiley-VCH,".
- catalog subject "615.1900285 22".
- catalog subject "Cheminformatics.".
- catalog subject "QD39.3.E46 C45 2003".
- catalog tableOfContents "Representation of chemical compounds -- Representation of chemical reactions -- The data -- Databases and data sources in chemistry -- Searching chemical structures -- Calculation of physical and chemical data -- Calculation of structure descriptors -- Methods for data analysis -- Applications -- Future directions.".
- catalog title "Chemoinformatics : a textbook / Johann Gasteiger, Thomas Engel (eds.).".
- catalog type "text".