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. 2020 Sep 24;11(47):12777–12788. doi: 10.1039/d0sc02639e

Prediction performance of the ensemble model broken down based on the source of the data for beam size 5.

Dataset At least one metabolite (%) At least half metabolites (%) All metabolites (%)
Glory 93.1 65.5 34.5
DrugBank 89.1 83.6 47.3
All 90.5 77.4 42.9