Computer–Based Structure Elucidation from Spectral Data

Computer–Based Structure Elucidation from Spectral Data
Author :
Publisher : Springer
Total Pages : 458
Release :
ISBN-10 : 9783662464021
ISBN-13 : 3662464020
Rating : 4/5 (21 Downloads)

Book Synopsis Computer–Based Structure Elucidation from Spectral Data by : Mikhail E. Elyashberg

Download or read book Computer–Based Structure Elucidation from Spectral Data written by Mikhail E. Elyashberg and published by Springer. This book was released on 2015-02-27 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Computer–Based Structure Elucidation from Spectral Data Related Books

Computer–Based Structure Elucidation from Spectral Data
Language: en
Pages: 458
Authors: Mikhail E. Elyashberg
Categories: Science
Type: BOOK - Published: 2015-02-27 - Publisher: Springer

DOWNLOAD EBOOK

Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail
Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
Language: en
Pages: 505
Authors: Mikhail E Elyashberg
Categories: Science
Type: BOOK - Published: 2015-11-09 - Publisher: Royal Society of Chemistry

DOWNLOAD EBOOK

Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists eng
Applied Chemoinformatics
Language: en
Pages: 660
Authors: Thomas Engel
Categories: Science
Type: BOOK - Published: 2018-06-05 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focu
Modern NMR Approaches to the Structure Elucidation of Natural Products
Language: en
Pages: 532
Authors: Antony Williams
Categories: Science
Type: BOOK - Published: 2016-12-14 - Publisher: Royal Society of Chemistry

DOWNLOAD EBOOK

The Ghanian plant Cryptolepis sanguinolenta is the source of a series of fascinating indoloquinoline alkaloids. The most unusual member of this alkaloid series
Classics in Spectroscopy
Language: en
Pages: 668
Authors: Stefan Berger
Categories: Science
Type: BOOK - Published: 2009-04-13 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Analytik von Naturstoffen, die jeder kennt: Die Autoren dieses Bandes beschränken sich nicht auf die nüchterne Abhandlung von Daten und Verfahren, sondern erz