Description: ComputerBased Structure Elucidation from Spectral Data by Mikhail E. Elyashberg, Antony J. Williams 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. FORMAT Hardcover LANGUAGE English CONDITION Brand New Publisher Description 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 Back Cover 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 Author Biography Prof. Dr. Mikhail Elyashberg Antony Williams Kirill Blinov Table of Contents 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. Review "The book is primarily an instruction manual for the ACD/Structure Elucidator software, clearly different from educational books for the basic understanding of spectra–structure relationships. For users of the Structure Elucidator software, e.g., Ph.D. students and practicing chemists who are familiar with the basic principles of molecular spectroscopy and with experience in structure elucidation, the book is strongly recommended. … This is the most comprehensive valuable resource for anyone using the ACD/Structure Elucidator." (Reinhard Meusinger, Analytical and Bioanalytical Chemistry, Vol. 408, 2016) Review Quote "The book is primarily an instruction manual for the ACD/Structure Elucidator software, clearly different from educational books for the basic understanding of spectra-structure relationships. For users of the Structure Elucidator software, e.g., Ph.D. students and practicing chemists who are familiar with the basic principles of molecular spectroscopy and with experience in structure elucidation, the book is strongly recommended. ... This is the most comprehensive valuable resource for anyone using the ACD/Structure Elucidator." (Reinhard Meusinger, Analytical and Bioanalytical Chemistry, Vol. 408, 2016) Feature 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 Elucidator and 100 problems are available at Details ISBN3662464012 Author Antony J. Williams Publisher Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Series Lecture Notes in Chemistry Year 2015 ISBN-10 3662464012 ISBN-13 9783662464014 Format Hardcover Imprint Springer-Verlag Berlin and Heidelberg GmbH & Co. K Subtitle The Art of Solving Problems Place of Publication Berlin Country of Publication Germany DEWEY 547 Short Title COMPUTER BASED STRUCTURE ELUCI Language English Media Book Series Number 89 Pages 447 Edition 2015th Illustrations 352 Illustrations, color; 184 Illustrations, black and white; XVI, 447 p. 536 illus., 352 illus. in color. DOI 10.1007/978-3-662-46402-1 UK Release Date 2015-03-23 Publication Date 2015-03-23 Edited by Kwan Keung Ng Birth 1955 Affiliation West Virginia University Position Associate Director Qualifications Ph.D. Edition Description 2015 ed. Alternative 9783662510544 Audience Professional & Vocational We've got this At The Nile, if you're looking for it, we've got it. With fast shipping, low prices, friendly service and well over a million items - you're bound to find what you want, at a price you'll love! TheNile_Item_ID:96244205;
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ISBN-13: 9783662464014
Book Title: ComputerBased Structure Elucidation from Spectral Data
Number of Pages: 447 Pages
Publication Name: Computer-Based Structure Elucidation from Spectral Data: the Art of Solving Problems
Language: English
Publisher: Springer-Verlag Berlin and Heidelberg Gmbh & Co. Kg
Item Height: 235 mm
Subject: Engineering & Technology, Chemistry
Publication Year: 2015
Type: Textbook
Item Weight: 8159 g
Author: Mikhail E. Elyashberg, Antony J. Williams
Item Width: 155 mm
Format: Hardcover
