Fig. 5.

Potential roles and applications of small-molecule candidate metabolites for biomarker discovery, diseases diagnosis, prognosis, and monitoring treatments in biomedicine. Compound detection, metabolites are detected by using specific detection techniques; data pre-processing, raw signals are then pre-processed to produce data in a suitable format for subsequent statistical analysis; then, data normalization is used to reduce the system and technical bias; data processing, for untargeted studies, metabolites are identified from spectral information in some given database; statistical analyses, univariate and multivariate statistical analyses are used to identify significantly expressed metabolites; biomarker discovery from multicenter, the discriminant metabolites originated from metabolomics approaches may become promising candidate molecules to aid disease diagnosis, and risk stratification; function analyses, next, the significantly expressed metabolites are subsequently linked to the biological context by using enrichment and pathway analysis. The images were obtained using the example data provided by the MetaboAnalyst 5.0 and figures created by BioRender