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Table of contents

Data Fusion of Similarity Coefficients for Improved Database Searching and Diversity by Jenny W. Chen John Holliday University of Sheffield

Overview

Chemical Similarity Searching

Similarity Measure

PowerPoint Presentation

Do Different Coefficients Give Similar Ranking?

Kendall’s Tau

Slide 8

Data Fusion

Fusion of Similarity Coefficients

Result

Does Bit Density Represent Compound Size?

Atom Count vs. Bit Count

Molecular Weight vs. Bit Count

Slide 15

Bit Density Distribution Studies

Size Distributions of Rus, Fob and Sim

Size Distributions of Cos, Fos, Pea & Sti

Max. Similarity Values For Tan, Rus and For

Future Works

A Machine Learning Approach to Data Fusion

Further Notes

Conclusion

Acknowledgment