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Contemporary computer-assisted approaches to molecular structure elucidation / Mikhail Elyashberg, Antony Williams, Kirill Blinov.
- Format:
- Book
- Author/Creator:
- Elyashberg, Mikhail.
- Series:
- New developments in NMR ; no. 1.
- New developments in NMR, 2044-253X ; 1
- Language:
- English
- Subjects (All):
- Molecular structure--Data processing.
- Molecular structure.
- Molecules--Models--Data processing.
- Molecules.
- Physical Description:
- 1 online resource (505 p.)
- Place of Publication:
- Cambridge [England] : RSC Pub., 2012.
- Language Note:
- English
- Summary:
- Computer-Assisted Structure Elucidation (CASE) systems are a combination of software algorithms and tools to support and enable chemists and spectroscopists engaged in the process of molecular structure elucidation via the analysis of spectroscopic data. These expert systems dramatically reduce the time associated with structure elucidation and improve the reliability of the results. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation describes the principles on which these expert systems for spectroscopic structure elucidation are based and concisely explains the algo
- Contents:
- pt. 1. Computer-assisted structure elucidation : fundamentals
- pt. 2. Examples of case expert systems
- pt. 3. Expert systems : structure elucidator.
- Notes:
- Description based upon print version of record.
- Includes bibliographical references and index.
- ISBN:
- 1-84973-457-7
- OCLC:
- 761928169
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