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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes

Fig. 5

Number of edges in the function of the similarity threshold. Fingerprint: ECFP_4, similarity measure: Tanimoto similarity-coefficient. For each dataset it can be observed that the number of edges shows a decrease of steep slope at low ranges of the applied similarity threshold. This steep decline is followed by a drastic change in the slope over a short range of the similarity threshold. a SCL dataset. b WOMBAT dataset. c PubChem MLSMR dataset

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Journal of Cheminformatics

ISSN: 1758-2946

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