Single sample pathway analysis in metabolomics: performance evaluation and application

BMC Bioinformatics

Table 1 Summary of datasets used

Dataset	Samples	Sample source	Assay	Number of metabolites mapping to ChEBI	Number of Reactome pathways accessible^a
Su et al. [38]	COVID19 (n = 130), Non-COVID19 (n = 133)	Blood plasma	UHPLC/MS/MS (Metabolon)	335	255
Lloyd-Price et al. [39]	CD (n = 265), UC (n = 146), Non-IBD (n = 135)	Stool	LC–MS HILIC-pos, LC–MS HILIC-neg, LC–MS C18-neg, LC–MS C8-pos	329	228

^aNumber of Reactome pathways accessible corresponds to the number of pathways in each dataset which contained at least two metabolites assayed in the metabolomics data

ISSN: 1471-2105