Computational Chemogenomics

  • J.B. Brown

Part of the Methods in Molecular Biology book series (MIMB, volume 1825)

Table of contents

  1. Front Matter
    Pages i-xii
  2. Data Resources for Computational Chemogenomics

    1. Front Matter
      Pages 1-1
    2. Rasel Al Mahmud, Rifat Ara Najnin, Ahsan Habib Polash
      Pages 3-62
    3. Sunghwan Kim, Benjamin A. Shoemaker, Evan E. Bolton, Stephen H. Bryant
      Pages 63-91
  3. Fundamental Data Processing

  4. Structural Analysis Methods in 2D and 3D

  5. Statistical Pattern Recognition

  6. Emerging Topics

    1. Front Matter
      Pages 411-411
    2. Tadayuki Kou, Masashi Kanai, Mayumi Kamada, Masahiko Nakatsui, Shigemi Matsumoto, Yasushi Okuno et al.
      Pages 413-424
    3. Edgar Jacoby, J. B. Brown
      Pages 425-450
  7. Back Matter
    Pages 451-454

About this book


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.


Protein targets Drug discovery Chemical toxicity screening Structural analysis Data processing Chemical activity data Compound-protein interaction Translational research

Editors and affiliations

  • J.B. Brown
    • 1
  1. 1.Life Science Informatics Research UnitLaboratory of Molecular Biosciences, Kyoto University Graduate School of MedicineKyotoJapan

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media, LLC, part of Springer Nature 2018
  • Publisher Name Humana Press, New York, NY
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-4939-8638-5
  • Online ISBN 978-1-4939-8639-2
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site
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