MUG '97 -- 11th Annual Daylight User Group Meeting -- 27 February 1997

Poster: "Of Frequencies and Fingerprints"

Brian Claus
Merck & Co., Inc.


Historically at Merck, we have used an in-house descriptor sets, such as atom pair and topological torsions, to describe molecules for similarity searching. These descriptor sets were used as building blocks for custom fingerprints to determine the effect of descriptor frequency on search results. These results were validated against our in-house TOPOSIM system and then compared to results obtained using the standard Daylight fingerprints.

Daylight Chemical Information Systems, Inc.