metexpert

We have hosted the application metexpert in order to run this application in our online workstations with Wine or directly.

Quick description about metexpert:

MetExpert is an expert system to assist users with limited expertise in informatics to interpret GCMS data for metabolite identification without querying spectral databases

Features:

• 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

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