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Package com.chemaxon.clustering.framework

Hierarchic structural framework based clustering.

See: Description

Package com.chemaxon.clustering.framework Description

Hierarchic structural framework based clustering. Currently a version of Bemis-Murcko clustering is provided by this package. See class BemisMurckoClustering and FrameworkClusteringResults for for details.

Structures are clustered based on their structural frameworks. Each input structure is associated with one or more consecutive frameworks which can be considered as generalized versions of the structure. Structures having the same immediate next framework are grouped into the same cluster. Frameworks are grouped into further clusters based on their immediate next frameworks.

Frameworks must satisfy the following requirements:

Gabor Imre
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