ISTOCSY

• Version 2.0.0

ISTOCSY is a python library for interactively exploring the correlations between features in metabolomics datasets

Imports:

• Basic tabular csv of any metabolomics datasets (in format of intensity data, feature metadata, sample metadata)

Provides:

• Visualisation of all the features in your dataset
• Ability to explore the correlations driven from any feature of choice
• Suggestion of structural sets (i.e., features putatively resulting from the same compound)
• Ability to change the correlation method, threshold, FDR correction method
• Ability to change the correlation threshold and retention time window for defining structural sets

Exports:

• Basic tabular csv of all results (feature names, correlations, structural sets, etc.)
• Interactive html plots (plotly)

Installation

Download and unzip ISTOCSY code from Git: https://github.com/phenomecentre/ISTOCSY/archive/refs/heads/pyqt6.zip

Windows

In a PowerShell terminal window, cd to the unzipped directory and run the batch file called install_and_run_istocsy.bat

Mac

In a terminal window, cd to the unzipped directory and run the batch file called install_and_run_istocsy.sh