Screen LibraryChemoinformatics a textbook /
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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| Group Author: | ; |
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| Published: |
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| Literature type: | Electronic eBook |
| Language: | English |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/3527601643 |
| 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. |
| Carrier Form: | 1 online resource (xxx, 649 pages) : illustrations, portraits |
| Bibliography: | Includes bibliographical references and indexes. |
| ISBN: |
3527601643 9783527601646 9783527606504 3527606505 |
| Index Number: | QD39 |
| CLC: | O6-04 |
| Contents: | 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. |