Chemometric contributions to the evolution of metabonomics: mathematical solutions to characterising and interpreting complex biological NMR spectra

被引：172

作者：

Holmes, E ^{[1
]}

Antti, H ^{[1
]}

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Div Biomed Sci, Dept Biol Chem, London SW7 2AZ, England

来源：

ANALYST | 2002年 / 127卷 / 12期

关键词：

D O I：

10.1039/b208254n

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The pharmaceutical industry has embraced emerging technologies such as genomics, proteomics and metabonomics over the past decade with a view to minimizing attrition and expanding drug development pipelines. Metabonomic technology, based on the multivariate analysis of complex biological profiles generated from spectroscopic instruments, has enabled the construction of successful expert systems for toxicity screening and disease diagnosis. Here we describe the evolution of chemometric and bioinformatic methodologies to accommodate the multi- and megavariate data generated by high resolution NMR spectroscopy of biofluids, tissues and cell cultures and explore their potential role in mining, modeling and predicting metabolic data.

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收藏

页码：1549 / 1557

页数：9

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