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Elucidating ‘undecipherable’ chemical structures using computer-assisted structure elucidation approaches

Published:2012-01 Issue:1 Volume:50 Page:22-27
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn. Reson. Chem.

Author:

Elyashberg Mikhail¹,Blinov Kirill¹,Molodtsov Sergey²,Williams Antony³

Affiliation:

1. Advanced Chemistry Development; Moscow Department; 6 Akademik Bakulev Street Moscow 117513 Russia

2. Novosibirsk Institute of Organic Chemistry, Siberian Division; Russian Academy of Sciences; 9 Akademik Lavrent'ev Av. Novosibirsk 630090 Russia

3. Royal Society of Chemistry; 904 Tamaras Circle Wake Forest NC-27587 USA

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.2849/fullpdf

Reference29 articles.

1. Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems

2. Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?

3. Using 1,1- and 1,n-ADEQUATE 2D NMR Data in Structure Elucidation Protocols

4. Qualitative and quantitative exploitation of heteronuclear coupling constants

5. Applications of artificial intelligence for chemical inference. I. Number of possible organic compounds. Acyclic structures containing carbon, hydrogen, oxygen, and nitrogen

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1. Sampling CASE Application for the Quality Control of Published Natural Product Structures;Molecules;2021-12-13

2. ACD/Structure Elucidator: 20 Years in the History of Development;Molecules;2021-11-01

3. Incorporation of 4J-HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon;Molecules;2021-08-11

4. Computer Assisted Structure Elucidation (CASE): Current and future perspectives;Magnetic Resonance in Chemistry;2020-12-20

5. Chemistry in Times of Artificial Intelligence;ChemPhysChem;2020-09-28

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