| 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.
|