• Naive Bayes classification model for isotopologue detection in LC-HRMS data 

      van Herwerden, Denice; O'Brien, Jake W.; Choi, Phil M.; Thomas, Kevin V; Schoenmakers, Peter J.; Samanipour, Saer (Peer reviewed; Journal article, 2022)
      Isotopologue identification or removal is a necessary step to reduce the number of features that need to be identified in samples analyzed with non-targeted analysis. Currently available approaches rely on either predicted ...