Mikhail E. Elyashberg & Antony J. Williams 
Computer–Based Structure Elucidation from Spectral Data [PDF ebook] 
The Art of Solving Problems

Ajutor

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 Ph D 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/Teaching SE.

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Cuprins

PART I: ACD/Structure Elucidator Expert System.- Fundamentals of the Structure Elucidator Expert Systems.- Strategies of Structure Elucidation.- PART II: Getting Started Structure Elucidator.- Simple Examples of Structure Elucidation.- PART III: Solution of Real World Problems.- Structure Elucidation Using Strict Structure Generation.- Structure Elucidation Using Fuzzy Structure Generation.

Despre autor

Prof. Dr. Mikhail Elyashberg
[email protected]
Antony Williams
Kirill Blinov

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Limba Engleză ● Format PDF ● Pagini 447 ● ISBN 9783662464021 ● Mărime fișier 25.5 MB ● Editura Springer Berlin ● Oraș Heidelberg ● Țară DE ● Publicat 2015 ● Descărcabil 24 luni ● Valută EUR ● ID 5241211 ● Protecție împotriva copiilor DRM social

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