Figure 4: Identification of metabolites contributing to discriminating model.

(A) OPLS-DA loading plot showing the metabolites of benign nodules and malignant nodules (papillary thyroid carcinoma) for marker identification. (B) OPLS loading plot (S-TOCSY) showing the model coefficients for each NMR variable. The signals are color coded according to their weights as a discriminator between benign and malignant thyroid nodules. Metabolites that significantly discriminate the two groups were annotated on the model coefficient plot.