
Computational Chemogenomics
J.B. Brown(Editor)
Humana Press Inc.
Published on 18. October 2018
Book
Hardback
XII, 454 pages
978-1-4939-8638-5 (ISBN)
Description
This thorough book provides a collection of techniques used in the emerging field of computational chemogenomics, which is an integration of chemoinformatics, bioinformatics, computer science, statistics, automated pattern recognition and modeling, database usage with data retrieval, and systems integration. Beginning with a section on public chemogenomic data resources, the volume continues by delving into the fundamentals of chemoinformatics, bioinformatics, and chemogenomic data processing. After the reader is comfortable with a core skillset, the volume introduces techniques to analyze specific proteins or compound structures and statistical pattern recognition techniques. Later chapters describe the future of chemogenomics including applications to medical care. Written for the highly successful
Methods in Molecular Biology
series, chapters include the kind of detailed implementation advice that serves as an ideal guide in the lab.
Practical and authoritative, Computational Chemogenomics will greatly aid experimental sciences who are novices to data processing and modeling, as well as those with computationally-oriented backgrounds wishing to engage in this scientific area, which is continually growing and expected to contribute to industry, academic, and government research projects.
Practical and authoritative, Computational Chemogenomics will greatly aid experimental sciences who are novices to data processing and modeling, as well as those with computationally-oriented backgrounds wishing to engage in this scientific area, which is continually growing and expected to contribute to industry, academic, and government research projects.
More details
Series
Edition
2018 ed.
Language
English
Place of publication
New York
United States
Target group
Professional and scholarly
Illustrations
54 s/w Abbildungen, 147 farbige Abbildungen
XII, 454 p. 201 illus., 147 illus. in color.
Dimensions
Height: 260 mm
Width: 183 mm
Thickness: 31 mm
Weight
1070 gr
ISBN-13
978-1-4939-8638-5 (9781493986385)
DOI
10.1007/978-1-4939-8639-2
Schweitzer Classification
Other editions
Additional editions

J.B. Brown
Computational Chemogenomics
Book
12/2019
Humana Press Inc.
€139.09
Shipment within 15-20 days

Content
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.