Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems: 89 (Lecture Notes in Chemistry, 89) - Hardcover

Book 16 of 33: Lecture Notes in Chemistry

Elyashberg, Mikhail E.; Williams, Antony J.

 
9783662464014: Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems: 89 (Lecture Notes in Chemistry, 89)
Hardcover
ISBN 10: 3662464012 ISBN 13: 9783662464014
Publisher: Springer, 2015

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.

"synopsis" may belong to another edition of this title.

About the Author

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

From the Back Cover

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 this title" may belong to another edition of this title.

Publisher
Springer
Publication date
2015
Language
English
ISBN 10 
3662464012
ISBN 13 
9783662464014
Binding
Hardcover
Number of pages
463

Other Popular Editions of the Same Title

9783662510544: Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems: 89 (Lecture Notes in Chemistry, 89)

Featured Edition

ISBN 10:  3662510545 ISBN 13:  9783662510544
Publisher: Springer, 2016
Softcover