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Performance of Similarity Measures in 2D Fragment-Based Similarity Searching: Comparison of Structural Descriptors and Similarity Coefficients

✍ Scribed by Chen, X.; Reynolds, C.H.

Book ID
118050208
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
236 KB
Volume
42
Category
Article
ISSN
0095-2338

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Substructural fragment occurrence data are widely used as the basis for measures of inter-molecular structural similarity. This paper investigates the effect of standardization on the effectiveness of such measures using eight data sets for which both structural and biological activity data are avai