EuroMUG '03 -- 9 - 10 Oct, 2003

Similarity Searching using Reduced Graphs

Jameed Hussain


Reduced graphs (RGs) are summary representations of molecules based on the topology of it chemical features. The presentation describes the use of this descriptor for similarity searching. The encoding of the RGs into a fingerprint is described along with its use in similarity searching.

Presentation slides:

Daylight Chemical Information Systems, Inc.