Validation of Structural Proposals by Substructure Analysis and13C NMR Chemical Shift Prediction

2002 ◽  
Vol 42 (2) ◽  
pp. 241-248 ◽  
Author(s):  
Jens Meiler ◽  
Erdogan Sanli ◽  
Jochen Junker ◽  
Reinhard Meusinger ◽  
Thomas Lindel ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Substructure Analysis

ChemInform Abstract: Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction.

ChemInform ◽  
2010 ◽  
Vol 33 (22) ◽  
pp. no-no
Author(s):  
Jens Meiler ◽  
Erdogan Sanli ◽  
Jochen Junker ◽  
Reinhard Meusinger ◽  
Thomas Lindel ◽  
...  
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Substructure Analysis

Ab initio study of halogenated diphenyl ethers. NMR chemical shift prediction

2000 ◽  
Vol 38 (12) ◽  
pp. 987-993 ◽  
Author(s):  
Jussi Eloranta ◽  
Jiwei Hu ◽  
Reijo Suontamo ◽  
Erkki Kolehmainen ◽  
Juha Knuutinen
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Diphenyl Ethers

scholarly journals NightShift: NMR shift inference by general hybrid model training - a framework for NMR chemical shift prediction

2013 ◽  
Vol 14 (1) ◽  
pp. 98 ◽  
Author(s):  
Anna Dehof ◽  
Simon Loew ◽  
Hans-Peter Lenhof ◽  
Andreas Hildebrandt
Keyword(s):  
Chemical Shift ◽  
Hybrid Model ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Model Training

CAST/CNMR: highly accurate 13C NMR chemical shift prediction system considering stereochemistry

Tetrahedron ◽  
2003 ◽  
Vol 59 (25) ◽  
pp. 4539-4547 ◽  
Author(s):  
Hiroko Satoh ◽  
Hiroyuki Koshino ◽  
Jun Uzawa ◽  
Tadashi Nakata
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Prediction System ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction

scholarly journals Structural Analysis of Glycans by NMR Chemical Shift Prediction

2011 ◽  
Vol 83 (5) ◽  
pp. 1514-1517 ◽  
Author(s):  
Magnus Lundborg ◽  
Göran Widmalm
Keyword(s):  
Structural Analysis ◽  
Chemical Shift ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction

19F NMR chemical shift prediction with fluorine fingerprint descriptor

2010 ◽  
Vol 131 (5) ◽  
pp. 570-577 ◽  
Author(s):  
Anna Vulpetti ◽  
Gregory Landrum ◽  
Simon Rüdisser ◽  
Paulus Erbel ◽  
Claudio Dalvit
Keyword(s):  
Chemical Shift ◽  
19F Nmr ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction

Addendum to “Using neural networks for 13C NMR chemical shift prediction—comparison with traditional methods” [J. Magn. Reson. 157 (2002) 242–252]

2004 ◽  
Vol 171 (1) ◽  
pp. 1-3
Author(s):  
Jens Meiler ◽  
Brent Lefebvre ◽  
Antony Williams ◽  
Michel Hachey
Keyword(s):  
Neural Networks ◽  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Chemical Shift ◽  
Traditional Methods ◽  
Chemical Shift Prediction

The application of empirical methods of13C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

2009 ◽  
Vol 47 (4) ◽  
pp. 333-341 ◽  
Author(s):  
Mikhail E. Elyashberg ◽  
Kirill A. Blinov ◽  
Antony J. Williams
Keyword(s):  
Chemical Shift ◽  
Empirical Methods ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction ◽  
Relative Stereochemistry

Development of a fast and accurate method of 13C NMR chemical shift prediction

2009 ◽  
Vol 97 (1) ◽  
pp. 91-97 ◽  
Author(s):  
Kirill A. Blinov ◽  
Yegor D. Smurnyy ◽  
Tatiana S. Churanova ◽  
Mikhail E. Elyashberg ◽  
Antony J. Williams
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Accurate Method ◽  
Nmr Chemical Shift ◽  
Chemical Shift Prediction
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