Practical Chemoinformatics

  • Muthukumarasamy Karthikeyan
  • Renu Vyas

Table of contents

  1. Front Matter
    Pages i-xxi
  2. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 1-92
  3. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 133-194
  4. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 195-269
  5. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 271-316
  6. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 317-374
  7. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 375-414
  8. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 415-449
  9. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 451-499
  10. Muthukumarasamy Karthikeyan, Renu Vyas
    Pages 501-528
  11. Back Matter
    Pages 529-533

About this book

Introduction

Chemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience and passion for the subject written in a simple lucid style to attract the interest of the student community who wish to master chemoinformatics as a career. The topics chosen cover the entire spectrum of chemoinformatics activities (methods, data and tools). The algorithms, open source databases, tutorials supporting theory using standard datasets, guidelines, questions and do it yourself exercises will make it valuable to the academic research community. At the same time every chapter devotes a section on development of new software tools relevant for the growing pharmaceutical, fine chemicals and life sciences industry. The book is intended to assist beginners to hone their skills and also constitute an interesting reading for the experts.

Keywords

Chemical Structure Encoding Chemoinformatics High performance computing Opensource tools (CDK) SAR Structure Activity Relationships

Authors and affiliations

  • Muthukumarasamy Karthikeyan
    • 1
  • Renu Vyas
    • 2
  1. 1.Digital Information Resource CentreNational Chemical LaboratoryPuneIndia
  2. 2.Division of Chemical Engineering and Process DevelopmentNational Chemical LaboratoryPuneIndia

Bibliographic information

  • DOI https://doi.org/10.1007/978-81-322-1780-0
  • Copyright Information Springer India 2014
  • Publisher Name Springer, New Delhi
  • eBook Packages Chemistry and Materials Science
  • Print ISBN 978-81-322-1779-4
  • Online ISBN 978-81-322-1780-0
  • About this book