TOOLS

MetaboQuest

MetaboQuest is a cloud-based application consisting of a suite of tools for metabolite annotation using compound databases, mass spectral libraries, and computational methods. The Mass-Based Search Tool searches for putative metabolite IDs in major compound databases based on m/z values. The MS/MS-Based Search Tool performs spectral matching of MS/MS data against experimental and in-silico fragments in mass spectral libraries. The Compound Fingerprint Prediction Tool uses a deep learning method for ranking putative metabolite IDs based on MS/MS data.

MetCraft

MetCraft is a cloud-based pipeline builder consisting of several modules for the analysis of untargeted metabolomics data. The modules include Mass-Based Search, IF-THEN Rule, Isotopic Pattern Analysis, Network-Based Analysis, MS/MS-Based Search, Compound Fingerprint Prediction, Differential Analysis, and Omics Integration. Users can build pipelines by linking these modules to perform metabolite annotation, differential analysis of metabolite profiles, and multi-omics integration.

iSysMet

iSysMet is a cloud-based application that uses systems biology methods to uncover the relationships between diseases and analytes. The application uses statistical, network-based, and machine learning methods for differential analysis of omics data and integration of multi-omics and imaging data to identify disease-associated analytes at the systems level.