Journal of Cheminformatics

Table 3 Cross-validation results

From: Predicting liver cytosol stability of small molecules

Descriptor	Method^a	AUC-ROC	BACC	Sensitivity	Specificity
MOE	BayesNet—DU	0.81	0.76	0.72	0.79
	RF—MU	0.86	0.78	0.79	0.76
	SVM—DU	0.85	0.77	0.79	0.76
RDKit	BayesNet	0.79	0.73	0.61	0.85
	RF—MU	0.86	0.78	0.78	0.78
	SVM—DU	0.83	0.77	0.83	0.72
QNA	BayesNet—MU	0.75	0.69	0.62	0.75
	RF—MU	0.83	0.75	0.72	0.78
	SVM—DU	0.85	0.80	0.80	0.80

^aDU and MU stand for diversity under-sampling and multiple under-sampling, respectively

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ISSN: 1758-2946

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