JKlustor is a ChemAxon module for diversity calculation and clustering integrated into JChem. Although the users of JChem are mainly chemists, JKlustor can be used for other objects too.

Currently JKlustor offers the following command-line tools for clustering:

You can also find all ChemAxon's clustering methods grouped below:


Hierarchical clustering

Maximum Common Substructure (MCS) Search

Library MCS (LibMCS) clustering

Ward clustering

Non-hierarchical clustering

Bemis-Murcko clustering

Diverse Set Selection

Jarvis-Patrick clustering

K-means clustering

Sphere exclusion clustering