• From Centroided to Profile Mode: Machine Learning for Prediction of Peak Width in HRMS Data 

      Samanipour, Saer; Choi, Phil; O'Brien, Jake W.; Pirok, Bob W. J.; Reid, Malcolm James; Thomas, Kevin V. (Peer reviewed; Journal article, 2021)
      Centroiding is one of the major approaches used for size reduction of the data generated by high-resolution mass spectrometry. During centroiding, performed either during acquisition or as a pre-processing step, the mass ...
    • Wastewater-based estimation of the prevalence of gout in Australia 

      Ahmed, Fahad; Tscharke, Benjamin; O'Brien, Jake; Thompson, Jack; Samanipour, Saer; Choi, Phil; Li, Jiaying; Mueller, Jochen; Thomas, Kevin (Peer reviewed; Journal article, 2020)
      Allopurinol, a first-line gout treatment drug in Australia, was assessed as a wastewater-based epidemiology biomarker of gout via quantification of the urinary metabolite, oxypurinol in wastewater. The in-sewer stability ...