Computational Chemogenomics - Brown, J.B.; SpringerLink (Online service) (New York, NY : Springer New York : Imprint: Humana, 2018)
A Survey of Web-Based Chemogenomic Data Resources -- Finding Potential Multi-Target Ligands Using PubChem -- Fundamental Bioinformatic and Chemoinformatic Data Processing -- Parsing Compound-Protein Bioactivity Tables -- Impact of Molecular Descriptors on Computational Models -- Physicochemical Property Labels as Molecular Descriptors for Improved Analysis of Compound-Protein and Compound-Compound Networks -- Core Statistical Methods for Chemogenomic Data -- Structure-Based Detection of Orthosteric and Allosteric Pockets at Protein-Protein Interfaces -- Single Binding Pockets versus Allosteric Binding -- Mapping Biological Activities to Different Types of Molecular Scaffolds: Exemplary Application to Protein Kinase Inhibitors -- SAR Matrix Method for Large-Scale Analysis of Compound Structure-Activity Relationships and Exploration of Multi-Target Activity Spaces -- Linear and Kernel Model Construction Methods for Predicting Drug-Target Interactions in a Chemogenomic Framework -- Selection of Informative Examples in Chemogenomic Datasets -- A Platform for Comprehensive Genomic Profiling in Human Cancers and Pharmacogenomics Therapy Selection -- The Future of Computational Chemogenomics.
Keywords: Bioinformatics; Bioinformatics