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

Buch 16 von 33: Lecture Notes in Chemistry

Elyashberg, Mikhail E.; Williams, Antony J.

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

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
2015
Sprache
Englisch
ISBN 10 
3662464012
ISBN 13 
9783662464014
Einband
Gebundene Ausgabe
Anzahl der Seiten
463
Kontakt zum Hersteller
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ProductSafety@springernature.com

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Darmstadt
64293
Deutschland

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Softcover