Elsevier S & T

Advances in Molecular Similarity, Volume 1

Carbo-Dorca, R.; Mezey, P.G.

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Table of contents
  • Cover
  • ADVANCES IN MOLECULAR SIMILARITYv
  • Copyright Pagevi
  • Contentsvii
  • LIST OF CONTRIBUTORSxi
  • INTRODUCTION TO THE SERIES: AN EDITOR'S FOREWORDxiii
  • PREFACExv
  • CHAPTER 1. QUANTUM MOLECULAR SIMILARITY MEASURES: CONCEPTS, DEFINITIONS, AND APPLICATIONS TO QUANTIT1
  • CHAPTER 2. SIMILARITY OF ATOMS IN MOLECULES43
  • CHAPTER 3. MOMENTUM–SPACE SIMILARITY: SOME RECENT APPLICATIONS61
  • CHAPTER 4. MOLECULAR SIMILARITY MEASURES OF CONFORMATIONAL CHANGES AND ELECTRON DENSITY DEFORMATIONS89
  • CHAPTER 5. ELECTRON CORRELATION IN ALLOWED AND FORBIDDEN PERICYCLIC REACTIONS FROM GEMINAL EXPANSION121
  • CHAPTER 6. CONFORMATIONAL ANALYSIS FROM THE VIEWPOINT OF MOLECULAR SIMILARITY135
  • CHAPTER 7. HOW SIMILAR ARE HF, MP2, AND DFT CHARGE DISTRIBUTIONS IN THE Cr(CO)6 COMPLEX?167
  • CHAPTER 8. QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AND THE ATOMIC SHELL APPROXIMATION (ASA)187
  • CHAPTER 9. AUTOMATIC SEARCH FOR SUBSTRUCTURE SIMILARITY: CANONICAL VERSUS MAXIMAL MATCHING; TOPOLOGI213
  • CHAPTER 10. USING A CANONICAL MATCHING TO MEASURE THE SIMILARITY BETWEEN MOLECULES: THE TAXOL AND TH243
  • CHAPTER 11. NEW ANTIBACTERIAL DRUGS DESIGNED BY MOLECULAR CONNECTIVITY267
  • INDEX281
Book details
  • Vendor Elsevier S & T
  • SKU 9780762301317
  • ISBN-13 9780080552712
  • Author Carbo-Dorca, R.; Mezey, P.G.
  • Category Science
  • Subject Physical & Theoretical

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Advances in Molecular Similarity, Volume 1