MUG '01 -- 15th Daylight User Group Meeting -- 6 - 9 Mar 2001

Using Relocation Clustering with Daylight Fingerprints: Interesting Results?

Ed Maliski
Amgen Inc.


We have been revisiting the use of various clustering techniques (see Peter Willet's book) using Daylight fingerprints. We found that reloction clustering worked quite well for grouping structures based on "common core". This turns out to be useful for grouping collections by "famalies" or for dealing with combichem sets.

Presentation slides

Daylight Chemical Information Systems, Inc.