作者: Nguyen-Khuong Terry , Rudd Pauline Mary , Walsh Ian , Wongtrakulkish Katherine Louisa
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摘要: A method for identifying an unknown biological sample (e.g. a glycan, antibody, metabolite) is disclosed. The comprises: receiving more than two measurements the sample, calculating point in two-dimensional plot from and by comparing against plurality of reference points plot. includes stored corresponding to respective known compounds. Each calculated attributes compound performing principal component analysis on measurements), with each attribute being different another attribute. measurement may be obtained experimentally liquid chromatography, mass spectrometry, tandem ion mobility spectrometry) or machine learning algorithm.