TOOLS
MetaboQuest is a cloud-based application consisting of a suite of modules for metabolite annotation using compound databases, mass spectral libraries, and computational methods. For example, the Mass-Based Search module searches for putative metabolite IDs in major compound databases based on m/z values. The Spectral Matching module searches for matching MS/MS or EI-MS spectra in mass spectral libraries. The Compound Fingerprint Prediction module uses a deep learning method for ranking putative metabolite IDs based on MS/MS data.
MetCraft is a cloud-based all-in-one solution consisting of several modules for the analysis of untargeted metabolomics data, metabolite annotation, and marker selection. It allows users to build pipelines by linking various modules to perform metabolomics data processing, metabolite annotation, differential analysis of metabolite profiles, and integration of metabolomics data with other omics data.
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.
For detailed information on these software tools, please see the user manual here.
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