Improvements to Daylight Clustering
Jack Delany, John Bradshaw
DAYLIGHT Chemical Information Systems, Inc. Mission Viejo, CA USA
Jack Delany, John Bradshaw
DAYLIGHT Chemical Information Systems, Inc. Mission Viejo, CA USA
Introduction
Daylight v4.8 implements the Jarvis-Patrick clustering algorithm with some refinements and variations. The clustering package consists of seven different command-line programs which perform steps within the clustering process (fingerprint, nearneighbors/mergeneighbors, jarpat/jpscan, showclusters/listclusters). Documentation on use of the programs is available here.
We've been working in three areas: improvements to the behavior of Jarvis-Patrick, addition of new clustering/selection techniques, and addition of new measures for use across the clustering techniques.
Ties Handling in Jarvis-Patrick