G-Aligner: a graph-based feature alignment method for untargeted LC–MS-based metabolomics

BMC Bioinformatics

Table 2 Evaluation results on manually annotated feature sets of the QE HF dataset

	TP	FP	FN	P	R	F	F_ACC	A_ACC
MZmine2 RANSAC	7982	103	265	0.987	0.968	0.977	0.956	0.831
OpenMS	8167	146	37	0.982	0.995	0.989	0.978	0.902
XCMS Group	6812	629	909	0.915	0.882	0.899	0.816	0.715
XCMS OBI-Warp	6749	677	924	0.909	0.880	0.894	0.808	0.667
Local bipartite	8019	78	253	0.990	0.969	0.980	0.960	0.884
G-Aligner Greedy	8320	12	18	0.999	0.998	0.998	0.996	0.989
G-Aligner Gurobi	8323	7	20	0.999	0.998	0.998	0.997	0.989
G-Aligner VLSNS_MSR	8323	7	20	0.999	0.998	0.998	0.997	0.989
G-Aligner VLSNS_MSG	8323	7	20	0.999	0.998	0.998	0.997	0.989

The results with the highest performance in the comparison are indicated in bold

ISSN: 1471-2105