Selectivity profiling of BCRP versus P-gp inhibition: from automated collection of polypharmacology data to multi-label learning

Table 4 Comparison of results for binary relevance (baseline) and classifiers chain, by ten-fold cross-validation

Algorithms	Macro-accuracy	Macro-MCC	Macro-AUC
Binary relevance, Logistic Regression	0.812	0.594	0.793
Classifiers chain, Logisitic Regression	0.812	0.594	0.793
Binary relevance, RandomForest	0.835	0.641	0.808
Classifiers chain, RandomForest	0.836	0.643	0.809
Binary relevance, SVM	0.766	0.504	0.749
Classifiers chain, SVM	0.767	0.504	0.750

ISSN: 1758-2946