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This tool clusters the compounds based on the structure similarity using the single linkage algorithm [44] and allows to download a similarity matrix containing the similarity for each drug drug pair.
Hierarchical clustering using the single linkage method was used for sub-clustering.
The cluster analyses using the single linkage, complete linkage, and average linkage methods did not produce clinically interpretable results.
With the threshold of AKLD set to 0.5, the 358 matrices were clustered using the single linkage agglomerative algorithm; as a result, 228 clusters were obtained.
As there is no single optimal cluster analysis procedure, we analyzed the data using the single linkage method [ 10, 11], the complete linkage method [ 12], the average linkage method [ 13], and the method of Ward [ 14].
The marker genotyping data were subjected to a cluster analysis using the single linkage method (SAS Institute 2011) to group the U.S. weedy red rice lines and to infer phylogenetic relations among the weedy and wild rice lines.
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In this paper we use the single linkage clustering.
The atoms were clustered using the single-linkage clustering algorithm with a cutoff value of 4 Å.
This allows clustering of triplet fragments using the single-linkage algorithm [ 43] as follows.
Clusters of co-expressed genes were identified using the single-linkage clustering method.
Moreover, the variety of biclusters using the single-linkage clustering method, where the distance between two biclusters defined by 1.0– PO was investigated.
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