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Chemical Clustering

Fast Hierarchical Clustering and Trees.

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  • A selection of linkage types including: UPGMA, UPGMC, WPGMA, WPGMC, complete and single linkage, farthest first clustering.
  • Chemical clustering by Tanimoto distance as well as clustering of other data types.
  • Chemical spreadsheet can be colored by cluster.
  • Open/close clusters, reorder branches by field, and reorder spreadsheet by field.
  • Extract representative "center" structures from each node.
  • Print, save and export image of cluster tree.
  • Edit individual nodes of tree e.g. labels. colors, spacing...
  • Interactive branch reordering and distance changing.
  • Auto close tree mode to make cluster trees more compact.

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