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• W2055367573 abstract "In order to investigate correlations between the functionality of compounds and the classification of their mass spectra, low-resolution spectra of monofunctional compounds have been classified by four supervised classification methods. The new classes are characterized by structural features and the correlation between functionality and classification is explained by fragmentation rules. Systematic misclassifications show that low-resolution mass spectra alone are not suitable for reliable identification of functionality." @default.
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• W2055367573 date "1992-05-01" @default.
• W2055367573 modified "2023-09-23" @default.
• W2055367573 title "Classification of mass spectra" @default.
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• W2055367573 doi "https://doi.org/10.1002/cem.1180060304" @default.
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