K-medoids clustering

Kmeans Clustering. Type of partitioning cluster analysis in which an object, such as a chemical structure, is placed into one of K clusters, based on how similar the structure is to the average value (or centroid) of each cluster. The average of the cluster may be an actual structure itself, in which case the technique is referred to as K-medoids clustering. 

C. B. Lucasius, A. D. Dane, and G. Kateman, Anal. Chim. Acta, 282, 647 (1993). On k-Medoid Clustering of Large Data Sets with the Aid of a Genetic Algorithm Background, Feasibility and Comparison. 

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