Molecular structural discrimination of chemical compounds in body odor using their GC–MS chromatogram and clustering methods

摘要

Graphical abstractDisplay OmittedHighlights?GC–MS characterization of body odor samples using three different sampling protocols.?Hard and soft clustering methods in discrimination of peaks of chemical compounds using GC–MS chromatograms.?Effective discrimination of peaks according to the molecular structural information of chemical compounds.?Improved performance of k-means clustering method in molecular structural discrimination.?K-medoid clustering method has better discrimination efficiency than FANNY fuzzy clustering method.Abstract展开▼