Computer-Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry)

Elyashberg, Mikhail E.; Williams, Antony J.

ISBN 10: 3662464012 / ISBN 13: 9783662464014

Published by Springer, 2015

About this Item

Print on Demand 464.

Seller Inventory # 373769553

Bibliographic Details

• Title: Computer-Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry)
• Publisher: Springer
• Publication Date: 2015
• Language: English
• ISBN 10: 3662464012
• ISBN 13: 9783662464014
• Binding: Hardcover
• Condition: New

About this title

Synopsis

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.

About the Author

Prof. Dr. Mikhail Elyashberg
mikhail.elyashberg@gmail.com
Antony Williams
Kirill Blinov