Table 1

Prediction of tissue malignancy by metabolite ratios and by nearest centroid classification
method # of metabolites sensitivity specificity
metabolite ratios: CMP / pentadecanoic acid 2 94.8% 93.9%
metabolite ratios: majority vote of 91 classifiers 20 97.0% 93.9%
cancerclass: nearest centroid 2 95.1% (86.4% - 97.6%) 93.9% (81.8% - 100%)
cancerclass: nearest centroid 20 97.1% (94.2% - 99.1%) 93.9% (84.8% - 100%)
cancerclass: nearest centroid 162 95.1% (93.2% - 97.1%) 93.9% (84.8% - 100%)

CMP : cytidine-5-monophosphate.The metabolite ratio method was developed in the current work. Nearest centroid classification was executed using the R package cancerclass [37]. For the latter method, classification rates including 95% confidence intervals were estimated using multiple random validation.

Budczies et al.

Budczies et al. BMC Genomics 2012 13:334   doi:10.1186/1471-2164-13-334

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