Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets

Table 4 Friedman’s aligned rank test and Bergmann-Hommel post hoc analysis results showing corrected p-values for multiple and pair-wise comparisons between SMN and the other three classifiers, respectively

Comparisons	F₁ score	AUPRC	AUROC	MCC	BA	Precision	Recall	Brier score	SSG
All four classifiers	0.0005	0.1322	0.0462	0.0111	5.4e−06	9.0e−05	1.8e−06	0.0017	2.0e−06
SMN vs RF	0.0003	0.5253	0.0168	0.0088	0.0001	0.0278	0.0013	0.0009	0.0010
SMN vs RUS	0.0051	0.1008	0.0504	0.0062	1.0000	0.0948	0.2307	0.0022	0.0274
SMN vs SMO	0.0003	0.7818	0.3320	0.0088	0.0001	0.0278	0.013	0.0007	8.4e−04

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