BMC Chemistry

Table 2 Prediction results of the metabolites for test set 1

From: RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like molecules

Test set 1	Top-1				Top-3
Test set 1	Recall	Precision	F1-Measure	FP^a	Recall	Precision	F1-Measure	FP^a
RD-Metabolizer	0.217	0.306	0.254	802	0.355	0.241	0.287	1823
MetaPrint2D-React	0.206	0.229	0.217	1133	0.349	0.162	0.221	2953

^a FP is the total number of predicted false positive metabolites in the top-k (k = 1, 3) position for all molecules in test set 1

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