Automated supervised learning pipeline for non-targeted GC-MS data analysis

Non-targeted analysis is nowadays applied in many different domains of analytical chemistry such as metabolomics, environmental and food analysis. Conventional processing strategies for GC-MS data include baseline correction, feature detection, and retention time alignment before multivariate modeli...

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Bibliographic Details
Main Authors: Kimmo Sirén, Ulrich Fischer, Jochen Vestner
Format: Article
Language:English
Published: Elsevier 2019-03-01
Series:Analytica Chimica Acta: X
Online Access:http://www.sciencedirect.com/science/article/pii/S2590134619300015