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- W2891497144 abstract "Exploratory machine-learned model can predict the experimental chemical shifts with high accuracy, and the corrected theoretical values can be used to assign NMR signals in molecular complexities." @default.
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- W2891497144 date "2018-01-01" @default.
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- W2891497144 title "Exploratory machine-learned theoretical chemical shifts can closely predict metabolic mixture signals" @default.
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