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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: Analysis of the effects of related fingerprints on molecular similarity using an eigenvalue entropy approach

Fig. 4

Comparison of the Tanimoto similarity score based on different reduction levels. a The fraction of used fingerprints with respect to given reduced levels for MACCS and Pubchem fingerprints. The reduced level 0 indicates the fraction for the original fingerprints. b The comparison of the first 6 principal components with respect to different reduction levels. c The comparison of the fraction of metabolite pairs with the absolute similarity score difference between the original set of fingerprints and a given reduced set of fingerprints exceeding specified threshold values

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Journal of Cheminformatics

ISSN: 1758-2946

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