Table 1: The sensitivity and specificity of the various supervised models evaluated using target variable/s of (a) one-dimensional (T1-relaxation), (b) one-dimensional (T2-relaxation), (c) two-dimensional (T1-relaxation, T2-relaxation), and (d) three-dimensional (T1-relaxation, T2-relaxation, A-ratio) from leave-one-out training method. The synonyms used were: T1-relaxation/T2-relaxation (A-ratio), area under the curve (AUC), classification accuracy (CA), F1 score – the balance between precision and recall, Precision – how many selected items were relevant, Recall - how many relevant items are selected. The training method using cross validation of k=5 was also evaluated for comparison (Supp. Fig. 4).
Table 2: State-of-the-art (with/without) machine learning assistive NMR works in comparison to the current work (Clustering NMR).