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

Buch 16 von 33: Lecture Notes in Chemistry

Elyashberg, Mikhail E. E.; Williams, Antony J.

 
9783662510544: Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry, Band 89)
Softcover
ISBN 10: 3662510545 ISBN 13: 9783662510544
Verlag: Springer, 2016

Inhaltsangabe

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.

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Über die Autorin bzw. den Autor

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

Von der hinteren Coverseite

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.

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Verlag
Springer
Erscheinungsdatum
2016
Sprache
Englisch
ISBN 10 
3662510545
ISBN 13 
9783662510544
Einband
Taschenbuch
Anzahl der Seiten
464
Kontakt zum Hersteller
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ProductSafety@springernature.com

Poststr. 9
Darmstadt
64293
Deutschland

Weitere beliebte Ausgaben desselben Titels

9783662464014: Computer–Based Structure Elucidation from Spectral Data: The Art of Solving Problems (Lecture Notes in Chemistry, 89, Band 89)

Vorgestellte Ausgabe

ISBN 10:  3662464012 ISBN 13:  9783662464014
Verlag: Springer, 2015
Hardcover