Combination of in silico prediction and convolutional neural network framework for targeted screening of metabolites from LC-HRMS fingerprints: A case study of “Pericarpium Citri Reticulatae - Fructus Aurantii”
Jun Zeng, Yaping Li, Chuanlin Wang, Sheng Fu, Min He
Topics & Concepts
ChemistryIn silicoChromatographyFalse positive paradoxMass spectrometryMetabolomicsConvolutional neural networkComputational biologyPattern recognition (psychology)Artificial intelligenceBiochemistryComputer scienceBiologyGeneMetabolomics and Mass Spectrometry StudiesTraditional Chinese Medicine AnalysisTraditional Chinese Medicine Studies