- 454 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
eBook - ePub
Handbook of Chemoinformatics Algorithms
About this book
Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp
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Yes, you can access Handbook of Chemoinformatics Algorithms by Jean-Loup Faulon,Andreas Bender in PDF and/or ePUB format, as well as other popular books in Computer Science & Biology. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Cover Page
- Title Page
- CHAPMAN &HALL/CRC
- Published Titles
- Copyright Page
- Contents
- Preface
- Acknowledgments
- Contributors
- 1 Representing Two-Dimensional (2D) Chemical Structures with Molecular Graphs
- 2 Algorithms to Store and Retrieve Two-Dimensional (2D) Chemical Structures
- 3 Three-Dimensional (3D) Molecular Representations
- 4 Molecular Descriptors
- 5 Ligand- and Structure-Based Virtual Screening
- 6 Predictive Quantitative Structure-Activity Relationships Modeling Data Preparation and the General Modeling Workflow
- 7 Predictive Quantitative Structure-Activity Relationships Modeling Development and Validation of QSAR Models
- 8 Structure Enumeration and Sampling
- 9 Computer-Aided Molecular Design Inverse Design
- 10 Computer-Aided Molecular Design De Novo Design
- 11 Reaction Network Generation
- 12 Open Source Chemoinformatics Software and Database Technologies
- 13 Sequence Alignment Algorithms Applications to Glycans and Trees and Tree-Like Structures
- 14 Machine LearningBased Bioinformatics Algorithms Application to Chemicals
- 15 Using Systems Biology Techniques to Determine Metabolic Fluxes and Metabolite Pool Sizes
- Index