Do Different CoefficientsGive Similar Rankings?

• UNITY 2D fingerprints generated for NCI Aids database of 37,124 compounds

• 60 compounds randomly-selected to act as targets

  • Similarity searches for k= 50, 100, 200 and 400 nearest neighbours 

• 22 different association, correlation and distance coefficients

• Experiments repeated using IDAlert database of 11,607 compounds

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