Journal of Cheminformatics

Table 2 Quantified overall performance of CTS and UniChem on the additive identifier mapping tests

From: Comparative evaluation of open source software for mapping between metabolite identifiers in metabolic network reconstructions: application to Recon 2

		Mean counts
		In	Hits	Out	Matches	Mean
						score
Name only	CTS	100	67	141	63	0.30
	UniChem	NA	NA	NA	NA	NA
+ InChIKey	CTS	100	95	112	87	0.
	UniChem	100	80	83	78	0.75
+ ChEBI	CTS	100	96	118	93	0.75
	UniChem	100	84	88	82	0.78
+ HMDB	CTS	100	96	113	89	0.75
	UniChem	100	85	88	82	0.79
+ KEGG	CTS	100	97	116	93	0.78
	UniChem	100	87	91	85	0.82
+ PubChem	CTS	100	97	117	94	0.78
	UniChem	NA	NA	NA	NA	NA

Results of individual tests are given in Additional file 1: Table S2. NA implies that the input identifier type was not covered by the corresponding application. PubChem refers to the PubChem Compound database and KEGG to the KEGG Compound database.

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ISSN: 1758-2946

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