方法对比

	差异代谢组学分析	代谢组学分析
领域	生物信息学	生物信息学
方法族	Process / pipeline	Process / pipeline
起源年份	2000s–2010s (field formalised alongside mass spectrometry advances)	1998–2002
提出者	Developed through convergent contributions by multiple groups; XCMS (Siuzdak lab, 2006) and MetaboAnalyst (Wishart lab, 2009–2015) are foundational computational implementations	Oliver et al. (coining of 'metabolomics'); Oliver Fiehn (systematic framework)
类型	Quantitative comparative omics pipeline	Quantitative omics pipeline
开创性文献	Xia, J., Sinelnikov, I. V., Han, B., & Wishart, D. S. (2015). MetaboAnalyst 3.0 — making metabolomics more meaningful. Nucleic Acids Research, 43(W1), W251–W257.	Fiehn, O. (2002). Metabolomics — the link between genotypes and phenotypes. Plant Molecular Biology, 48(1-2), 155–171.
别名	comparative metabolomics, differential metabolite profiling, metabolomic differential analysis, DMA	metabolome profiling, metabolic profiling, metabonomics, metabolite profiling
相关	6	6
摘要	Differential metabolomics analysis is a computational pipeline that identifies metabolites whose abundance levels differ significantly between two or more biological conditions — such as disease versus control, treated versus untreated, or different developmental stages. By integrating mass spectrometry or NMR data with statistical modelling and pathway databases, it translates raw spectral measurements into biologically interpretable lists of perturbed metabolic features and the pathways they implicate.	Metabolomics analysis is the large-scale, systematic measurement of small-molecule metabolites in a biological sample to characterise the metabolome — the complete set of metabolic intermediates and products present under defined conditions. By coupling high-throughput analytical platforms such as mass spectrometry (MS) or nuclear magnetic resonance (NMR) spectroscopy with multivariate statistics and pathway databases, metabolomics bridges the genotype–phenotype gap and captures the downstream functional output of genes, transcripts, and proteins in real time.