Fully automatic resolution of untargeted GC-MS data with deep learning assistance
Xiaqiong Fan, Zhenbo Xu, Hailiang Zhang, Dabiao Liu, Qiong Yang, Qiaotao Tao, Ming Wen, Xiao Kang, Zhimin Zhang, Hongmei Lü
Topics & Concepts
ChemistryArtificial intelligencePattern recognition (psychology)Linear discriminant analysisPipeline (software)Gas chromatography–mass spectrometryMultivariate statisticsArtificial neural networkPrincipal component analysisDeep learningRaw dataChromatographyMass spectrometryComputer scienceMachine learningProgramming languageSpectroscopy and Chemometric AnalysesMetabolomics and Mass Spectrometry StudiesAdvanced Chemical Sensor Technologies