. 2023 Sep 25;28(19):6793. doi: 10.3390/molecules28196793

Table 2.

Performance comparison of IonPred with other tools on non-metal-ion test sets.

Radicals	Method	Rec	Pre	F1	MCC	AUC	AUPR
CO₃²⁻	IonCom	0.610	0.498	0.548	0.579	0.909	0.567
CO₃²⁻	IonPred	0.743	0.612	0.671	0.652	0.928	0.724
NO₂⁻	IonCom	0.596	0.398	0.477	0.592	0.890	0.399
NO₂⁻	IonPred	0.789	0.634	0.703	0.620	0.939	0.677
SO₄³⁻	IonCom	0.210	0.178	0.193	0.160	0.723	0.156
SO₄³⁻	IonPred	0.389	0.411	0.400	0.341	0.876	0.336
PO₄³⁻	IonCom	0.451	0.292	0.355	0.218	0.709	0.233
PO₄³⁻	IonPred	0.523	0.731	0.610	0.595	0.904	0.487

Rec refers to Recall, Pre refers to Precision, MCC refers to Matthew’s correlation coefficient, F1 refers to F1 score, AUC refers to Area under the curve, and AUPR refers to Area under precision recall curve. Bold font indicates metric with best performance.