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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification

Fig. 4

Workflow of BioTransformer’s metabolism prediction and metabolite identification tools. The BioTransformer metabolite prediction tool (BMPT) is used solely for metabolism prediction. For metabolite identification tasks, the BioTransformer metabolite identification tool (BMIT) makes use of those predictions to suggest putative metabolites of a compound that have a given neutral mass or molecular formula

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