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. Author manuscript; available in PMC: 2016 Apr 19.
Published in final edited form as: Planta Med. 2015 Dec 21;82(3):250–262. doi: 10.1055/s-0035-1558113

Table 5.

Modeling and classification results with 100 × 4 bootstrapped Latin partitions.

Modeling (α= 0.05) Classification
Data set Number FOAM SIMCA FuRES PLS-DA
MS sensitivity 324 96.7 ± 0.2% 91.1 ± 0.2% 98.2 ± 0.3% 95.4 ± 0.3%
MS specificity 70 86.7 ± 0.1 % 85.7 ± 0.1 % 59.4 ± 0.8% 63.4 ± 0.3%
NMR sensitivity 65 91.0 ± 0.3% 77.7 ± 0.3% 96.2 ± 0.3% 98.4 ± 0.1 %
NMR specificity 14 78.5 ± 0.6% 85.7 ± 0.1 % 68.6 ± 0.3% 66.7 ± 0.4%