Soft Computing Approaches in Chemistry

  • Hugh M. Cartwright
  • Les M. Sztandera

Part of the Studies in Fuzziness and Soft Computing book series (STUDFUZZ, volume 120)

Table of contents

  1. Front Matter
    Pages i-x
  2. Ketan Patel, Hugh M. Cartwright
    Pages 31-49
  3. Werner Lottermoser, Thomas Schell, Konrad Steiner
    Pages 51-66
  4. Les Sztandera, Mendel Trachtman, Charles Bock, Janardhan Velga, Ashish Garg
    Pages 67-93
  5. S. M. Scott, W. T. O’Hare, Z. Ali
    Pages 95-134
  6. Roy L. Johnston, Christopher Roberts
    Pages 161-204
  7. Anna Maria Bianucci, Alessio Micheli, Alessandro Sperduti, Antonina Starita
    Pages 265-296
  8. Primož Potočnik, Igor Grabec, Marko Šetinc, Janez Levec
    Pages 297-315
  9. Back Matter
    Pages 317-320

About this book


 This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of Mössbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.


Base Chemical reaction Evolution Simulation artificial neural network bioinformatics cognition evolutionary algorithm fuzzy logic fuzzy sets genetic algorithms knowledge modeling neural network optimization

Editors and affiliations

  • Hugh M. Cartwright
    • 1
  • Les M. Sztandera
    • 2
  1. 1.Physical and Theoretical ChemistryOxford UniversityOxfordUK
  2. 2.CIS DepartmentPhiladelphia UniversityPhiladelphiaUSA

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag Berlin Heidelberg 2003
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-642-53507-9
  • Online ISBN 978-3-540-36213-5
  • Series Print ISSN 1434-9922
  • Series Online ISSN 1860-0808
  • Buy this book on publisher's site
Industry Sectors
Chemical Manufacturing
Consumer Packaged Goods
Materials & Steel
Energy, Utilities & Environment
Oil, Gas & Geosciences