A computer program for the automatic est
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Renate Bürgin Schaller; Ernö Pretsch
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Article
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1994
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Elsevier Science
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English
⚖ 612 KB
A computer program has been developed for predicting 'H NMR chemical shifts. It automatically finds the various substructures of a given molecule for which additivity rules are available. Several strategies have been used to widen the range of applicability. With ,200 test compounds, over 90% of the