NMRPredict:

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		NMRPredict Overview
		HOSE code and Substituent chemical shift prediction
		3D Conformer proton prediction
		Parametrised functional groups
		GMMX force field calculation

Proton NMR Prediction

Two complementary approaches

NMRPredict includes two different but very complementary approaches to proton NMR prediction - the 3D Conformer approach from Professor Ray Abraham of the University of Liverpool and the substituent chemical shift approach from Professor Ernö Pretsch of ETH, Zürich.