MOESM4 of Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0
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Additional file 4: Table S2. List of 40 compounds from section â Metabolome completion and metabolomicsâ having an identifier in MetaNetX and produced by three identical reactions (i.e. reactions having the same substrates and products) generated using the Sympheny, BNICE and D6 rule sets.
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figshare
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2017-12-20
