Molecular Connectivity in Chemistry and Drug Research

Author: Kier   Lemont  

Publisher: Elsevier Science‎

Publication year: 2012

E-ISBN: 9780323158312

P-ISBN(Paperback): 9780124065604

P-ISBN(Hardback):  9780124065604

Subject: O641 chemical structure

Language: ENG

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Description

Medicinal Chemistry, Volume 14: Molecular Connectivity in Chemistry and Drug Research is a 10-chapter text that focuses on the molecular connectivity approach for quantitative evaluation of molecular structure of drugs. Molecular connectivity is a nonempirical derivation of numerical value that encode within them sufficient information to relate to many physicochemical and biological properties.
This book outlines first the development of molecular connectivity approach, followed by considerable chapters on its application to evaluation of physicochemical properties of drugs. Other chapters explore the application of molecular connectivity to structure-activity studies in medicinal chemistry. The final chapters provide some reflections, challenges, and potential areas of investigation of molecular connectivity.
Advanced undergraduate or graduate students in medicinal chemistry or pharmacology, practicing scientists, and theoretical chemists will find this book invaluable.

Chapter

Front Cover

pp.:  1 – 4

Copyright Page

pp.:  5 – 8

Dedication

pp.:  6 – 12

Table of Contents

pp.:  8 – 6

PREFACE

pp.:  12 – 14

ACKNOWLEDGMENTS

pp.:  14 – 16

Chapter 1. Structure and Properties

pp.:  16 – 30

Chapter 2. Elements of Graph Theory and Topological Indices

pp.:  30 – 55

Chapter 3. Molecular Connectivity

pp.:  55 – 96

Chapter 4. Molecular Properties and Connectivity

pp.:  96 – 138

Chapter 5. Molar Properties and Molecular Connectivity

pp.:  138 – 183

Chapter 6. Connectivity and Nonspecific Biological Activity

pp.:  183 – 200

Chapter 7. Substituent Group Structure–Activity Relationships

pp.:  200 – 212

Chapter 8. Multiple Chi Terms Relating to Biological Activity

pp.:  212 – 225

Chapter 9. Use of Physical Property Terms with Connectivity Functions

pp.:  225 – 234

Chapter 10. Reflections on the Nature and Future of Connectivity

pp.:  234 – 253

Appendix A

pp.:  253 – 265

Appendix B

pp.:  265 – 268

INDEX

pp.:  268 – 273

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