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Figure 7 | Journal of Cheminformatics

Figure 7

From: Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases

Figure 7

Compound promiscuity for kinase outlier group 1 and kinase outlier group 2. Kinase outlier group 1 is based on distances generated from fingerprint enrichment profiles, whereas kinase outlier group 2 is based on distances generated from Tanimoto comparison between bioactivity fingerprints of kinases, as performed earlier by Bamborough et al.[21]. Given that the kinases in outlier group 1 share over 7 times as many active compounds with other kinases in the dataset as compared to kinases from outlier group 2, kinase outliers from group 1 have more robust data for SAR similarity comparison and are therefore more likely to be genuine outliers (since their character as outliers is based on more comprehensive underlying data).

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Journal of Cheminformatics

ISSN: 1758-2946

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