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Press Release

September 2006

MODGRAPH CONSULTANTS LTD are delighted to announce that they have integrated the substituent chemical shifts approach for proton NMR prediction developed by Professor Ernö Pretsch of ETH, Zürich into NMRPredict.

For carbon 13 NMR prediction NMRPredict already uses two very different, but complementary, prediction methods - the HOSE code database method and a Neural Network algorithm. NMRPredict uses both methods simultaneously and suggests the best predicted values.

Now two very different, but complementary, approaches can also be applied for proton prediction.

Professor Pretsch's substituent chemical shifts algorithm provides reliable instantaneous proton predictions, which can be used independently or compared with NMRPredict's 3D conformation predictions developed by Professor Ray Abraham.

For more information please contact Jeff Seymour at Modgraph. .