Select the modules executed in the workflow

Tagger

Tagger is a classifier tool capable of detecting metabolites characterized as nutrients, drugs, microbial and/or natural products, plants, halogenated or peptides. The classification is performed using regular expressions and information contained in public databases (e.g. HMDB, FooDB, DrugBank, LOTUS, PlantCyc).

REname

The table with candidate metabolites usually contains numerous generic annotations with isomers, repetitions and limited utility for the researcher. REname facilitates the extraction and visualization of useful information by identifying isomers and equivalent compounds and merging them under a single annotation. This process is performed using a regular expression system and an index of manually curated compounds mapping.

RowMerger

RowMerger is an entity comparer that allows combining information from different annotations according to user-defined criteria, i.e. grouping annotations assigned to the same feature in a single entry. This step facilitate consistently data visualization and therefore the interpretation of the results.

TPMetrics

TPMetrics applies a multi criteria scoring algorithm that incorporates analytical correlations and ionization probabilities to identify the most probable annotation. Furthermore, it also allows combining into a unique data matrix two different datasets, specifically, the one obtained after data curation by TurboPutative with another dataset that encompasses data deemed useful for the interpretation of the results.