Handbook of chemoinformatics algorithms / / editors, Jean-Loup Faulon, Andreas Bender
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| Titolo: |
Handbook of chemoinformatics algorithms / / editors, Jean-Loup Faulon, Andreas Bender
|
| Pubblicazione: | Boca Raton, : Chapman & Hall/CRC, 2010 |
| Edizione: | 1st ed. |
| Descrizione fisica: | 1 online resource (454 p.) |
| Disciplina: | 542/.85 |
| Soggetto topico: | Cheminformatics |
| Algorithms | |
| Graph theory | |
| Altri autori: |
FaulonJean-Loup
BenderAndreas <1976->
|
| Note generali: | Description based upon print version of record. |
| Nota di bibliografia: | Includes bibliographical references and index. |
| Nota di contenuto: | 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 | |
| Sommario/riassunto: | Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure representation, molecular descriptors, similarity search, virtual screening, and structure-property model generation and validation. |
| Titolo autorizzato: | Handbook of chemoinformatics algorithms |
| ISBN: | 0-429-14091-6 |
| 1-4200-8299-X | |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910822668803321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |
Serie:
Chapman and Hall/CRC mathematical & computational biology series.