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Computer–Based Structure Elucidation from Spectral Data

The Art of Solving Problems
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Éditeur :

Springer

Collection : Lecture Notes in Chemistry

Paru le : 2015-02-27

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 n...
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Description du livre


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.

À propos

Auteur
Mikhail E. Elyashberg , Antony J. Williams
Éditeur
Springer
Collection
Lecture Notes in Chemistry
Parution
2015-02-27
Pages
447 pages
EAN papier
9783662464014

Caractéristiques détaillées - droits

EAN EPUB
9783662464021
Prix
95,39 €
Nombre pages copiables
4
Nombre pages imprimables
44
Taille du fichier
8643 Ko
Ce livre est accessible aux handicaps informations d'accessibilité

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