Topological Indices and Related Descriptors in QSAR and QSPR
eBook - ePub

Topological Indices and Related Descriptors in QSAR and QSPR

  1. 811 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Topological Indices and Related Descriptors in QSAR and QSPR

About this book

Topological Indices and Related Descriptors in QSAR and QSPR reviews the state of the art in this field and highlights the important advances in the generation of descriptors calculated directly from the structure of molecules. This long-awaited comprehensive book provides all the necessary information to calculate and use these descriptors for deriving structure-activity and structure-property relationships. Written by leading experts in the field, this book discusses the physicochemical significance, strengths, and weaknesses of these indices and presents numerous examples of applications.
This book will be a valuable reference for anyone involved in the use of QSAR and QSPR in the pharmaceutical, applied chemical, and environmental sciences. It is also suitable for use as a supplementary textbook on related graduate level courses.

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Yes, you can access Topological Indices and Related Descriptors in QSAR and QSPR by James Devillers,Alexandru T Balaban in PDF and/or ePUB format, as well as other popular books in Mathematics & Chemistry. We have over one million books available in our catalogue for you to explore.

Information

Publisher
CRC Press
Year
2000
eBook ISBN
9781040217641
Topic
Mathematics
Subtopic
Chemistry
Index
Chemistry

Table of contents

  1. Cover
  2. Half Title
  3. Title Page
  4. Copyright Page
  5. Table of Contents
  6. Preface
  7. Contributors
  8. 1. No-Free-Lunch Molecular Descriptors in Qsar and Qspr
  9. 2. Historical Development of Topological Indices
  10. 3. The Graph Description of Chemical Structures
  11. 4. Vertex- and Edge-Weighted Molecular Graphs and Derived Structural Descriptors
  12. 5. Matrices and Structural Descriptors Computed From Molecular Graph Distances
  13. 6. The Detour Matrix and The Detour Index
  14. 7. Molecular Connectivity Chi Indices For Database Analysis and Structureproperty Modeling
  15. 8. Overall Connectivity and Topological Complexity: A New Tool For Qspr/Qsar
  16. 9. Novel Strategies in The Search of Topological Indices
  17. 10. The Kappa Indices For Modeling Molecular Shape and Flexibility
  18. 11. The Electrotopological State: Structure Modeling For Qsar and Database Analysis
  19. 12. Information Theoretic Indices of Neighborhood Complexity and Their Applications
  20. 13. Autocorrelation Descriptors For Modeling (Eco)Toxicological Endpoints
  21. 14. Darc Site Topological Correlations: Ordered Structural Descriptors and Property Evaluation
  22. 15. A Hierarchical Approach To The Development of Qsar Models Using Topological, Geometrical and Quantum Chemical Parameters
  23. 16. Molecular Graph Descriptors Used in Neural Network Models
  24. 17. Algorithms and Software For The Computation of Topological Indices and Structure-Property Models
  25. Index