Subset Optimization by Reference Matching (STORM): An Optimized Statistical Approach for Recovery of Metabolic Biomarker Structural Information from 1H NMR Spectra of Biofluids
Subset Optimization by Reference Matching (STORM): An Optimized Statistical Approach for Recovery of Metabolic Biomarker Structural Information from 1H NMR Spectra of Biofluids
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DOI：
10.1021/ac302360v
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发表时间：
2012-12-18
影响因子：
7.4
通讯作者：
Nicholson, Jeremy K.
中科院分区：
文献类型：
--
作者：
Posma, Joram M.;Garcia-Perez, Isabel;Nicholson, Jeremy K.
We describe a new multivariate statistical approach to recover metabolite structure information from multiple H-1 NMR spectra in population sample sets. Subset optimization by reference matching (STORM) was developed to select subsets of H-1 NMR spectra that contain specific spectroscopic signatures of biomarkers differentiating between different human populations. STORM aims to improve the visualization of structural correlations in spectroscopic data by using these reduced spectral subsets containing smaller numbers of samples than the number of variables (n
