Untargeted LC–MS/MS analysis reveals metabolomics feature of osteosarcoma stem cell response to methotrexate

Table 2 Summary of PLS-DA and OPLS-DA evaluation

Title	Ion model	PLS-DA				OPLS-DA
Title	Ion model	A	R²X (cum)	R²Y (cum)	Q² (cum)	A	R²X (cum)	R²Y (cum)	Q² (cum)
1A vs 1B	Positive	2	0.706	1	0.998	1 + 1+0	0.706	1	0.997
1A vs 1B	Negative	2	0.732	1	0.997	1 + 1+0	0.732	1	0.996
2A vs 2B	Positive	2	0.753	0.995	0.983	1 + 1+0	0.753	0.995	0.982
2A vs 2B	Negative	2	0.671	1	0.997	1 + 1+0	0.671	1	0.995
3A vs 3B	Positive	2	0.807	1	0.998	1 + 1+0	0.807	1	0.998
3A vs 3B	Negative	2	0.633	1	0.994	1 + 1+0	0.633	1	0.992
4A vs 4B	Positive	2	0.642	1	0.994	1 + 1+0	0.642	1	0.993
4A vs 4B	Negative	2	0.683	1	0.995	1 + 1+0	0.683	1	0.996

PLS-DA partial least squares to latent structure-discriminant analysis, OPLS-DA orthogonal partial last square-discriminant analysis

ISSN: 1475-2867