Computer-assisted fully automatic structure revision of organic natural products based on their C13-NMR data using the CSEARCH-protocol

2019 ◽  
Author(s):  
W Robien
2003 ◽  
Vol 41 (5) ◽  
pp. 359-372 ◽  
Author(s):  
Kirill A. Blinov ◽  
Dean Carlson ◽  
Mikhail E. Elyashberg ◽  
Gary E. Martin ◽  
Eduard R. Martirosian ◽  
...  

2010 ◽  
Vol 5 (5) ◽  
pp. 1934578X1000500 ◽  
Author(s):  
Bertrand Plainchont ◽  
Jean-Marc Nuzillard ◽  
Gilberto V. Rodrigues ◽  
Marcelo J. P. Ferreira ◽  
Marcus T. Scotti ◽  
...  

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.


ChemInform ◽  
2010 ◽  
Vol 41 (44) ◽  
pp. no-no
Author(s):  
Fumiko Miyake ◽  
Michinao Hashimoto ◽  
Sorasaree Tonsiengsom ◽  
Kenichi Yakushijin ◽  
David A. Horne

1992 ◽  
Vol 3 (4) ◽  
pp. 153-159 ◽  
Author(s):  
G. Massiot ◽  
J. M. Nuzillard

2012 ◽  
Vol 35 (5) ◽  
pp. 1077-1088 ◽  
Author(s):  
Diane M. Renz ◽  
Joachim Böttcher ◽  
Felix Diekmann ◽  
Alexander Poellinger ◽  
Martin H. Maurer ◽  
...  

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