The Resource Computer–Based Structure Elucidation from Spectral Data : The Art of Solving Problems, by Mikhail E. Elyashberg, Antony J. Williams, (electronic resource)

Computer–Based Structure Elucidation from Spectral Data : The Art of Solving Problems, by Mikhail E. Elyashberg, Antony J. Williams, (electronic resource)

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
by Mikhail E. Elyashberg, Antony J. Williams
Creator
Contributor
Author
Author
Subject
Language
  • eng
  • 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
http://library.link/vocab/creatorName
Elyashberg, Mikhail E
Dewey number
541.220113
http://bibfra.me/vocab/relation/httpidlocgovvocabularyrelatorsaut
  • 2bfxnwhrwjc
  • H560H8-JEPw
Language note
English
LC call number
QD95-96
Literary form
non fiction
Nature of contents
dictionaries
http://library.link/vocab/relatedWorkOrContributorName
Williams, Antony J.
Series statement
Lecture Notes in Chemistry,
Series volume
89
http://library.link/vocab/subjectName
  • Spectroscopy
  • Chemistry, Organic
  • Chemistry, Physical organic
  • Chemistry
  • Spectroscopy/Spectrometry
  • Organic Chemistry
  • Physical Chemistry
  • Computer Applications in Chemistry
Label
Computer–Based Structure Elucidation from Spectral Data : The Art of Solving Problems, by Mikhail E. Elyashberg, Antony J. Williams, (electronic resource)
Instantiates
Publication
Note
Description based upon print version of record
Bibliography note
Includes biblographical references at the end of each chapters
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1st ed. 2015.
Extent
1 online resource (458 p.)
Form of item
online
Isbn
9783662464021
Media category
computer
Media type code
  • c
Other control number
10.1007/978-3-662-46402-1
Specific material designation
remote
System control number
  • (CKB)3710000000360440
  • (EBL)1998063
  • (OCoLC)904281152
  • (SSID)ssj0001451968
  • (PQKBManifestationID)11916658
  • (PQKBTitleCode)TC0001451968
  • (PQKBWorkID)11479303
  • (PQKB)10967853
  • (DE-He213)978-3-662-46402-1
  • (MiAaPQ)EBC1998063
  • (EXLCZ)993710000000360440
Label
Computer–Based Structure Elucidation from Spectral Data : The Art of Solving Problems, by Mikhail E. Elyashberg, Antony J. Williams, (electronic resource)
Publication
Note
Description based upon print version of record
Bibliography note
Includes biblographical references at the end of each chapters
Carrier category
online resource
Carrier category code
  • cr
Content category
text
Content type code
  • txt
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
Dimensions
unknown
Edition
1st ed. 2015.
Extent
1 online resource (458 p.)
Form of item
online
Isbn
9783662464021
Media category
computer
Media type code
  • c
Other control number
10.1007/978-3-662-46402-1
Specific material designation
remote
System control number
  • (CKB)3710000000360440
  • (EBL)1998063
  • (OCoLC)904281152
  • (SSID)ssj0001451968
  • (PQKBManifestationID)11916658
  • (PQKBTitleCode)TC0001451968
  • (PQKBWorkID)11479303
  • (PQKB)10967853
  • (DE-He213)978-3-662-46402-1
  • (MiAaPQ)EBC1998063
  • (EXLCZ)993710000000360440

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