Recent advances in the structure elucidation of small organic molecules by the LSD software

The LSD software proposes the structures of small organic molecules that fit with structural constraints from 1D and 2D NMR spectroscopy. Its initial design introduced limits that needed to be eliminated to extend its scope and help its users choose the most likely structure among those proposed. Th...

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Veröffentlicht in:	Magnetic resonance in chemistry 2013-08, Vol.51 (8), p.447-453
Hauptverfasser:	Plainchont, Bertrand, de Paulo Emerenciano, Vicente, Nuzillard, Jean-Marc
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms chemical shift prediction Computer programs computer software correlation NMR Epoxy Compounds - chemistry LSD Magnetic Resonance Spectroscopy Molecular Structure Natural products NMR spectroscopy Nuclear magnetic resonance Polycyclic Compounds - chemistry Reproduction Software structure elucidation Two dimensional
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