Computer–Based Structure Elucidation from Spectral Data The Art of Solving Problems

Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic n...

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Bibliographic Details
Main Authors: Elyashberg, Mikhail E., Williams, Antony J. (Author)
Format: eBook
Language:English
Published: Berlin, Heidelberg Springer Berlin Heidelberg 2015, 2015
Edition:1st ed. 2015
Series:Lecture Notes in Chemistry
Subjects:
Online Access:
Collection: Springer eBooks 2005- - Collection details see MPG.ReNa
Table of Contents:
  • PART I: ACD/Structure Elucidator Expert System
  • Fundamentals of the Structure Elucidator Expert Systems
  • Strategies of Structure Elucidation
  • PART II: Getting Started Structure Elucidator
  • Simple Examples of Structure Elucidation
  • PART III: Solution of Real World Problems.- Structure Elucidation Using Strict Structure Generation
  • Structure Elucidation Using Fuzzy Structure Generation