Table of contents

Similarity Searching using Reduced Graphs

Outline

Reduced Graphs

Slide 4

Slide 5

Calculating Similarity

Atom pairs fingerprint

Slide 8

Slide 9

Edit Distance

Costs

RG Similarity Algorithm

Slide 13

Other Queries

Querying Tool - CB1

Example - CB1 Antagonists

CB1 Antagonists

Slide 18

Real Example

Slide 20

Acknowledgements