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 |  |
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 |
doi | https://doi.org/10.1007/978-3-662-46402-1 |
isbn_softcover | 978-3-662-51054-4 |
isbn_ebook | 978-3-662-46402-1Series ISSN 0342-4901 Series E-ISSN 2192-6603 |
issn_series | 0342-4901 |
copyright | Springer-Verlag Berlin Heidelberg 2015 |