This is the Linux app named MetExpert whose latest release can be downloaded as MetExpertv1.zip. It can be run online in the free hosting provider OnWorks for workstations.
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SCREENSHOTS:
MetExpert
DESCRIPTION:
MetExpert is an expert system to assist users with limited expertise in informatics to interpret GCMS data for metabolite identification without querying spectral databasesFeatures
- MetExpert performs in silico derivatization to increase the searchable chemical space of existing molecular structure databases
- MetExpert employs machine learning techniques for the prediction of retention indices and molecular substructures
- MetExpert prioritizes the candidate molecules using orthogonal dataset through a streamlined, automated pipeline
This is an application that can also be fetched from https://sourceforge.net/projects/metexpert/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.