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Clustering Files of Chemical Structures Using the Fuzzy k-Means Clustering Method

✍ Scribed by Holliday, J.D.; Rodgers, S.L.; Willett, P.; Chen, M.-Y.; Mahfouf, M.; Lawson, K.; Mullier, G.


Book ID
115500444
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
161 KB
Volume
44
Category
Article
ISSN
0095-2338

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## Abstract The global analysis of metabolites can be used to define the phenotypes of cells, tissues or organisms. Classifying groups of samples based on their metabolic profile is one of the main topics of metabolomics research. Crisp clustering methods assign each feature to one cluster, thereby