Coverart for item
The Resource Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book)

Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book)

Label
Computer-based structure elucidation from spectral data : the art of solving problems
Title
Computer-based structure elucidation from spectral data
Title remainder
the art of solving problems
Statement of responsibility
Mikhail E. Elyashberg, Antony J. Williams
Creator
Contributor
Author
Subject
Language
eng
Summary
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
Member of
Cataloging source
N$T
http://library.link/vocab/creatorName
Elyashberg, Mikhail
Dewey number
541/.22
Illustrations
illustrations
Index
no index present
LC call number
QD480
LC item number
.E49 2015eb
Literary form
non fiction
Nature of contents
  • dictionaries
  • bibliography
http://library.link/vocab/relatedWorkOrContributorName
Williams, Antony J.
Series statement
Lecture notes in chemistry,
Series volume
89
http://library.link/vocab/subjectName
  • Molecular structure
  • Spectrum analysis
  • Structural bioinformatics
  • Cheminformatics
Label
Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book)
Instantiates
Publication
Antecedent source
unknown
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
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
Control code
SPR904281152
Dimensions
unknown
Extent
1 online resource (xvi, 447 pages)
File format
unknown
Form of item
online
Isbn
9783662464021
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-3-662-46402-1
Other physical details
illustrations (some color).
Quality assurance targets
not applicable
Reformatting quality
unknown
Reproduction note
Electronic resource.
Sound
unknown sound
Specific material designation
remote
Label
Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book)
Publication
Antecedent source
unknown
Bibliography note
Includes bibliographical references
Carrier category
online resource
Carrier category code
  • cr
Carrier MARC source
rdacarrier
Color
multicolored
Content category
text
Content type code
  • txt
Content type MARC source
rdacontent
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
Control code
SPR904281152
Dimensions
unknown
Extent
1 online resource (xvi, 447 pages)
File format
unknown
Form of item
online
Isbn
9783662464021
Level of compression
unknown
Media category
computer
Media MARC source
rdamedia
Media type code
  • c
Other control number
10.1007/978-3-662-46402-1
Other physical details
illustrations (some color).
Quality assurance targets
not applicable
Reformatting quality
unknown
Reproduction note
Electronic resource.
Sound
unknown sound
Specific material designation
remote

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