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Computer–Based Structure Elucidation from Spectral Data by Mikhail E. Elyashberg
Computer–Based Structure Elucidation from Spectral Data by Mikhail E. Elyashberg
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Computer–Based Structure Elucidation from Spectral Data

The Art of Solving Problems
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Description

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 nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.

Author Biography:

Prof. Dr. Mikhail Elyashberg mikhail.elyashberg@gmail.com Antony Williams Kirill Blinov
Release date Australia
October 13th, 2016
Pages
447
Edition
Softcover reprint of the original 1st ed. 2015
Audience
  • Professional & Vocational
Illustrations
352 Illustrations, color; 184 Illustrations, black and white; XVI, 447 p. 536 illus., 352 illus. in color.
Dimensions
155x235x24
ISBN-13
9783662510544
Product ID
26132613

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