Analyze Studies

Molecular structure similarity analysis

This Structure similarity network tool creates a network map from a list of metabolite names by selecting a fingerprint type (MACCSkeys, Chem.RDK, Topological, Morgan,MorganBitVector) and similarity method (Tanimoto, Dice) with a similarity coefficient cutoff.

This feature is also implemented for each NMDR study containing named metabolites (in 'Perform statistical analysis' section).

MS/NMR studies identifying named metabolites

Select a study for analysis:

Analysis tools may also be accessed from within each study page using the 'Perform statistical analysis' link

Comparative analysis across studies

MS untargeted experiments containing unidentified ions

Perform data analysis on user-uploaded data

Analyze studies using Jupyter Notebooks or the following online tools.