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Contemporary computer-assisted approaches to molecular structure elucidation

Author: Mikhail Elyashberg; Antony J Williams; Kirill Blinov
Publisher: Cambridge : RSC Publishing, ©2012.
Series: New developments in NMR, no. 1.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
Computer Assisted Structure Elucidation (CASE) systems are powerful software applications capable of outperforming human data interpretation in terms of both speed and reliability. They combine software algorithms with tools for molecular structure elucidation using spectroscopic data. This book describes the principles on which CASE systems are based and concisely explains the algorithmic concepts behind the  Read more...
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Document Type: Book
All Authors / Contributors: Mikhail Elyashberg; Antony J Williams; Kirill Blinov
ISBN: 1849734321 9781849734325
OCLC Number: 773420602
Description: xxii, 482 pages : illustrations (some color) ; 25 cm.
Contents: pt. 1. Computer-assisted structure elucidation : fundamentals --
pt. 2. Examples of case expert systems --
pt. 3. Expert systems : structure elucidator.
Series Title: New developments in NMR, no. 1.
Responsibility: Mikhail Elyashberg, Antony Williams, Kirill Blinov.

Abstract:

The first volume that describes the principles on which expert (CASE) systems for structure elucidation are based and concisely explains the algorithmic concepts behind the programs.  Read more...

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"Computer-assisted structure elucidation (CASE) aims to provide users in chemistry, molecular biology, or other areas dealing with structures of small molecules with suggestions on the structural Read more...

 
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