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Titlebook: Computer–Based Structure Elucidation from Spectral Data; The Art of Solving P Mikhail E. Elyashberg,Antony J. Williams Book 2015 Springer-V

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发表于 2025-3-21 17:51:54 | 显示全部楼层 |阅读模式
书目名称Computer–Based Structure Elucidation from Spectral Data
副标题The Art of Solving P
编辑Mikhail E. Elyashberg,Antony J. Williams
视频video
概述Introduces problem solving in molecular structure elucidation using ACD/Structure Elucidator.Provides a detailed explanation of the various practical approaches.Special version of ACD/Structure Elucid
丛书名称Lecture Notes in Chemistry
图书封面Titlebook: Computer–Based Structure Elucidation from Spectral Data; The Art of Solving P Mikhail E. Elyashberg,Antony J. Williams Book 2015 Springer-V
描述.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..
出版日期Book 2015
关键词ACD/Structure Elucidator; Computer Assisted Structure Elucidation (CASE); Expert System for Structure
版次1
doihttps://doi.org/10.1007/978-3-662-46402-1
isbn_softcover978-3-662-51054-4
isbn_ebook978-3-662-46402-1Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 2015
The information of publication is updating

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发表于 2025-3-21 23:16:58 | 显示全部楼层
Springer Monographs in Mathematicsd” . (those for which ..., . > 3). To this aim, a . (FSG) algorithm is implemented into Structure Elucidator which allows for identification of the structure of the compound under analysis in the presence of an . of nonstandard correlations of .. Different modes of FSG are expounded and strategies f
发表于 2025-3-22 02:09:43 | 显示全部楼层
https://doi.org/10.1007/3-540-30593-9lucidator which can be downloaded for free (.). All spectroscopic data required for each task is already presented in electronic formats appropriate for use with the program. The student may vary the axioms formulated for solving a given task and follow how the solution changes depending on the user
发表于 2025-3-22 07:58:31 | 显示全部楼层
https://doi.org/10.1007/3-540-30593-9ts to follow how the results change depending on the composition of the initial axiom set. This chapter describes 33 real-world problems which are solved using .. This program mode assumes that all HMBC and COSY correlations are of “standard” lengths corresponding to the coupling constants ... and .
发表于 2025-3-22 09:52:02 | 显示全部楼层
Fundamentals of Structure Elucidator Systemblems, Structure Elucidator must be capable of deducing correct structures from a ., . and frequently . set of axioms composing the initial information. It is noted that an axiomatic approach is a cognitive basis not only for CASE, but also for organic qualitative analysis. The knowledge base of Str
发表于 2025-3-22 15:29:19 | 显示全部楼层
Strategies of Structure Elucidationd” . (those for which ..., . > 3). To this aim, a . (FSG) algorithm is implemented into Structure Elucidator which allows for identification of the structure of the compound under analysis in the presence of an . of nonstandard correlations of .. Different modes of FSG are expounded and strategies f
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Computer–Based Structure Elucidation from Spectral DataThe Art of Solving P
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