| Description |
1 online resource (xxx, 649 pages) : illustrations, portraits |
| 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 |
| 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 |
| Bibliography |
Includes bibliographical references and indexes |
| Notes |
Print version record |
| Subject |
Cheminformatics.
|
|
Combinatorial Chemistry Techniques -- methods.
|
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Computer-Aided Design.
|
| Form |
Electronic book
|
| Author |
Engel, Thomas, Dr.
|
|
Gasteiger, J. (Johann)
|
| ISBN |
3527601643 (electronic bk. ; Adobe Acrobat Reader) |
|
3527606505 (electronic bk.) |
|
9783527601646 (electronic bk. ; Adobe Acrobat Reader) |
|
9783527606504 (electronic bk.) |
|
