title: Classifying algorithms for SIFT-MS technology and medical diagnosis.
abstract: Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS) is an analytical technique for real-time quantification of trace gases in air or breath samples. SIFT-MS system thus offers unique potential for early, rapid detection of disease states. Identification of volatile organic compound (VOC) masses that contribute strongly towards a successful classification clearly highlights potential new biomarkers. A method utilising kernel density estimates is thus presented for classifying unknown samples. It is validated in a simple known case and a clinical setting before-after dialysis. The simple case with nitrogen in Tedlar bags returned a 100% success rate, as expected. The clinical proof-of-concept with seven tests on one patient had an ROC curve area of 0.89. These results validate the method presented and illustrate the emerging clinical potential of this technology.
authors.affiliation: Department of Mechanical Engineering, University of Canterbury, Private Bag 4800, Christchurch, New Zealand. ktm19@student.canterbury.ac.nz
authors.forename: K T
authors.initials: KT
authors.lastname: Moorhead
authors.forename: D
authors.initials: D
authors.lastname: Lee
authors.forename: J G
authors.initials: JG
authors.lastname: Chase
authors.forename: A R
authors.initials: AR
authors.lastname: Moot
authors.forename: K M
authors.initials: KM
authors.lastname: Ledingham
authors.forename: J
authors.initials: J
authors.lastname: Scotter
authors.forename: R A
authors.initials: RA
authors.lastname: Allardyce
authors.forename: S T
authors.initials: ST
authors.lastname: Senthilmohan
authors.forename: Z
authors.initials: Z
authors.lastname: Endre
mesh_terms: D000465:Algorithms; D001185:Artificial Intelligence; D015415:Biomarkers; D001944:Breath Tests / Q000295:instrumentation / Q000379:methods; D003198:Computer Simulation; D003936:Diagnosis, Computer-Assisted / Q000379:methods*; D005740:Gases / Q000032:analysis*; D006801:Humans; D007668:Kidney; D007674:Kidney Diseases / Q000628:therapy; D009584:Nitrogen / Q000737:chemistry; D009930:Organic Chemicals / Q000032:analysis*; D010363:Pattern Recognition, Automated / Q000379:methods*; D006435:Renal Dialysis; D015203:Reproducibility of Results; D021241:Spectrometry, Mass, Electrospray Ionization / Q000295:instrumentation / Q000379:methods*; D014835:Volatilization
chemical_list: D015415:Biomarkers; D005740:Gases; D009930:Organic Chemicals; D009584:Nitrogen