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Computational Chemogenomics

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Cover of 'Computational Chemogenomics'

Table of Contents

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    Book Overview
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    Chapter 1 A Survey of Web-Based Chemogenomic Data Resources
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    Chapter 2 Finding Potential Multitarget Ligands Using PubChem
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    Chapter 3 Fundamental Bioinformatic and Chemoinformatic Data Processing
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    Chapter 4 Parsing Compound–Protein Bioactivity Tables
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    Chapter 5 Impact of Molecular Descriptors on Computational Models
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    Chapter 6 Physicochemical Property Labels as Molecular Descriptors for Improved Analysis of Compound–Protein and Compound–Compound Networks
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    Chapter 7 Core Statistical Methods for Chemogenomic Data
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    Chapter 8 Structure-Based Detection of Orthosteric and Allosteric Pockets at Protein–Protein Interfaces
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    Chapter 9 Single Binding Pockets Versus Allosteric Binding
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    Chapter 10 Mapping Biological Activities to Different Types of Molecular Scaffolds: Exemplary Application to Protein Kinase Inhibitors
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    Chapter 11 SAR Matrix Method for Large-Scale Analysis of Compound Structure–Activity Relationships and Exploration of Multitarget Activity Spaces
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    Chapter 12 Linear and Kernel Model Construction Methods for Predicting Drug–Target Interactions in a Chemogenomic Framework
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    Chapter 13 Selection of Informative Examples in Chemogenomic Datasets
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    Chapter 14 A Platform for Comprehensive Genomic Profiling in Human Cancers and Pharmacogenomics Therapy Selection
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    Chapter 15 The Future of Computational Chemogenomics
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