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. 2021 Sep 16;11:18430. doi: 10.1038/s41598-021-97855-7

Table 1.

VIP scores of the PLS-DA model based on the fold-changes between T2 and T1 and between T5 and T1 plasma metabolite concentrations.

Fold-change T2/T1 Fold-change T5/T1
Features VIP Features VIP
Putrescine 1.60 ADMA 1.519
Gln 1.43 total DMA 1.494
Ala 1.30 Asp 1.458
lysoPC a C17:0 1.18 Asn 1.401
PC aa C38:4 1.13 Thr 1.394
PC aa C36:4 1.11 alpha-AAA 1.259
PC aa C36:1 1.10 Trp 1.130
PC aa C36:3 1.10 Putrescine 1.115
PC aa C38:6 1.09 C18:1 1.090
PC ae C38:0 1.09 Met 1.051
lysoPC a C18:1 1.07 PC ae C40:1 1.045
Cit 1.07 PC ae C38:0 1.032
Kynurenine 1.07 PC aa C36:5 1.026
lysoPC a C18:0 1.07 PC aa C38:6 1.001
lysoPC a C20:4 1.06 Orn 0.997
Phe 1.05 Arg 0.955
PC aa C34:2 1.05 PC aa C38:4 0.951
PC ae C40:1 1.05 C0 0.949
PC aa C40:4 1.04 lysoPC a C18:0 0.946
lysoPC a C18:2 1.03 t4-OH-Pro 0.926
PC ae C36:2 1.03 lysoPC a C16:0 0.917
lysoPC a C16:1 1.02 Leu 0.915
PC ae C38:4 1.01 lysoPC a C18:1 0.914
PC ae C36:3 1.00 Tyr 0.910
PC ae C42:2 0.97 Val 0.908
PC ae C38:3 0.94 PC ae C36:5 0.905
PC aa C38:3 0.94 PC ae C32:2 0.900
PC ae C40:6 0.93 SM C16:1 0.864
PC aa C36:5 0.92 lysoPC a C17:0 0.858
PC ae C38:6 0.92 PC ae C42:2 0.833
PC aa C40:3 0.91 Serotonin 0.823
PC aa C32:1 0.88 PC ae C40:4 0.784
PC ae C32:2 0.84 PC ae C40:5 0.774
PC aa C30:2 0.80 PC ae C40:6 0.761
PC aa C42:1 0.67 His 0.748
PC ae C40:4 0.66 PC aa C38:5 0.735
PC aa C38:5 0.60 PC aa C40:6 0.722
PC aa C40:6 0.39 PC aa C38:1 0.710
Spermidine 0.33 SM C18:0 0.709
SM C22:3 0.27 PC ae C44:6 0.535

The models were built on the first 40 ranked features selected by a filter technique. A feature with a variable importance (VIP) score higher than 1 is considered significant in the classification model.