Evaluation and application of machine learning-based retention time prediction for suspect screening of pesticides and pesticide transformation products in LC-HRMS
Chao Feng, Qian Xu, Xinlei Qiu, Yu’e Jin, Jieyun Ji, Yuanjie Lin, Sunyang Le, Jianwen She, Dasheng Lu, Guoquan Wang
Topics & Concepts
PesticideTransformation (genetics)Random forestIdentification (biology)Artificial intelligenceComputer scienceMachine learningChemistryGeneBiologyAgronomyBiochemistryBotanyMetabolomics and Mass Spectrometry StudiesPesticide Residue Analysis and SafetySpectroscopy and Chemometric Analyses