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)
Resource Information
The item Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- 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
- Language
- eng
- Extent
- 1 online resource (xvi, 447 pages)
- 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
- Isbn
- 9783662464021
- 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
- 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
- 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)
- 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)
- 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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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/Computer-based-structure-elucidation-from/T6F0OW5GCHI/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/Computer-based-structure-elucidation-from/T6F0OW5GCHI/">Computer-based structure elucidation from spectral data : the art of solving problems, Mikhail E. Elyashberg, Antony J. Williams, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
