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Fig. 6 | BMC Bioinformatics

Fig. 6

From: Pickaxe: a Python library for the prediction of novel metabolic reactions

Fig. 6

Annotation of an untargeted E. coli metabolomics dataset. Compounds less than 600 Da selected from the EcoCyc database were expanded using the top 50 JN1224min rules utilizing metabolomics, thermodynamic, and feasibility filters. a Number of unique compounds produced for each generation for a mixture of filters, b the total number of matches between compounds and unannotated peaks, and c the percentage of metabolic filter only annotated peaks retained (still matches at least one candidate compound based on m/z) for each set of filters

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