Efficient Application of 2D NMR Correlation Information in Computer-Assisted Structure Elucidation of Complex Natural Products

1994 ◽  
Vol 34 (4) ◽  
pp. 805-813 ◽  
Author(s):  
Chen Peng ◽  
Shengang Yuan ◽  
Chongzhi Zheng ◽  
Yongzheng Hui
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Computer Assisted ◽  
Correlation Information ◽  
Computer Assisted Structure Elucidation

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

2003 ◽  
Vol 41 (5) ◽  
pp. 359-372 ◽  
Author(s):  
Kirill A. Blinov ◽  
Dean Carlson ◽  
Mikhail E. Elyashberg ◽  
Gary E. Martin ◽  
Eduard R. Martirosian ◽  
...  
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Computer Assisted ◽  
Nmr Data ◽  
Data Application ◽  
Computer Assisted Structure Elucidation

scholarly journals Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer-assisted structure elucidation and 2D NMR

2003 ◽  
Vol 41 (8) ◽  
pp. 577-584 ◽  
Author(s):  
Kirill Blinov ◽  
Mikhail Elyashberg ◽  
Eduard R. Martirosian ◽  
Sergey G. Molodtsov ◽  
Antony J. Williams ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
2D Nmr ◽  
Computer Assisted ◽  
Computer Assisted Structure Elucidation

The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural products

2019 ◽  
Vol 36 (6) ◽  
pp. 919-933 ◽  
Author(s):  
Darcy C. Burns ◽  
Eugene P. Mazzola ◽  
William F. Reynolds
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
Computer Assisted ◽  
Computer Assisted Structure Elucidation

Computer-assisted structure elucidation can help to determine the structures of complex natural products while minimizing the risk of structure errors.

scholarly journals New Improvements in Automatic Structure Elucidation Using the LSD (Logic for Structure Determination) and the SISTEMAT Expert Systems

2010 ◽  
Vol 5 (5) ◽  
pp. 1934578X1000500 ◽  
Author(s):  
Bertrand Plainchont ◽  
Jean-Marc Nuzillard ◽  
Gilberto V. Rodrigues ◽  
Marcelo J. P. Ferreira ◽  
Marcus T. Scotti ◽  
...  
Keyword(s):  
Natural Products ◽  
Expert Systems ◽  
Structure Determination ◽  
Structure Elucidation ◽  
Organic Molecules ◽  
Computer Assisted ◽  
Small Organic Molecules ◽  
Automatic Structure ◽  
Structure Generator ◽  
Computer Assisted Structure Elucidation

This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.

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