Fig. 1 | Nature Communications

Fig. 1

From: Dereplication of microbial metabolites through database search of mass spectra

Fig. 1

DEREPLICATOR+ pipeline. The method consists of (i) constructing metabolite graphs from metabolites chemical structures, (ii) generating fragmentation graphs, (iii) constructing decoy fragmentation graph for each metabolite (iv) annotating target and decoy fragmentation graphs by spectra and scoring metabolite-spectrum matches (MSMs), (v) computing statistical significance of MSMs and evaluating FDR, and (vi) enlarging the set of MSMs by molecular networking

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