. 2026 Sep 9;16(43):53776–53805. doi: 10.1039/d6ra05786a

Table 5. Accuracy statistics of the guided-kNN model applied to the validation and test sets, along with the results of the LOO-CV applied to the training set, for the k_opt value.

Statistics	Training set (LOO)	Validation set	Test set
MCC	0.569	0.602	0.599
Accuracy	0.788	0.807	0.802
Sensitivity/recall	0.811	0.828	0.845
Specificity	0.758	0.777	0.749
Precision	0.811	0.843	0.806

Table 5. Accuracy statistics of the guided-kNN model applied to the validation and test sets, along with the results of the LOO-CV applied to the training set, for the kopt value.