MetExpert

Brought to you by: fengqiu1982

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Last Update: 2017-10-28

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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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MetExpert Pipeline

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2017-10-20

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