Package chemaxon.clustering

Provides classes for clustering.

Class Summary

Class	Description
Common	Common superclass for JKlustor tools.
Compare	Compares two sets of objects (like compound libraries) using diversity and dissimilarity calculations.
JarvisPatrick	Performs variable-length Jarvis-Patrick clustering based on binary fingerprints (bits strings) and/or other data stored in a database table or a file.
LibraryMCS	The LibraryMCS class computes the maximum common substructure (MCS) of a set of compounds.
NearestNeighbors	Compares two sets of objects (like compound libraries) using diversity and dissimilarity calculations.
Ward	Uses Ward's minimum variance method for clustering molecules based on molecular fingerprints or other descriptors.