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Record Nr. |
UNINA9910459062703321 |
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Titolo |
Handbook of chemoinformatics algorithms / / editors, Jean-Loup Faulon, Andreas Bender |
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Pubbl/distr/stampa |
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Boca Raton : , : Chapman & Hall/CRC, , 2010 |
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ISBN |
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0-429-14091-6 |
1-4200-8299-X |
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Descrizione fisica |
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1 online resource (454 p.) |
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Collana |
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Chapman & Hall/CRC mathematical and computational biology series |
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Altri autori (Persone) |
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FaulonJean-Loup |
BenderAndreas <1976-> |
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Disciplina |
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Soggetti |
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Cheminformatics |
Algorithms |
Graph theory |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Front Cover; Contents; Preface; Acknowledgments; Contributors; Chapter 1: Representing Two-Dimensional (2D) Chemical Structureswith Molecular Graphs; Chapter 2: Algorithms to Store and Retrieve Two-Dimensional (2D) Chemical Structures; 3 Three-Dimensional (3D) MolecularRepresentations; Chapter 4: Molecular Descriptors; 5 Ligand- andStructure-Based VirtualScreening; Chapter 6: Predictive Quantitative Structure-Activity Relationships Modeling; Chapter 7: Predictive Quantitative Structure-Activity Relationships Modeling; Chapter 8: Structure Enumeration and Sampling |
Chapter 9: Computer-Aided Molecular DesignChapter 10: Computer-Aided Molecular Design; Chapter 11: Reaction Network Generation; Chapter 12: Open Source Chemoinformatics Software and DatabaseTechnologies; Chapter 13: Sequence Alignment Algorithms; Chapter 14: Machine Learning-Based Bioinformatics Algorithms; Chapter 15: Using Systems Biology Techniques to Determine Metabolic Fluxes and Metabolite Pool Sizes; Index; Back Cover |
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Sommario/riassunto |
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Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure |
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