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Frequency distribution of primary hit structural clusters.

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posted on 03.11.2009 by Elizabeth R. Sharlow, David Close, Tongying Shun, Stephanie Leimgruber, Robyn Reed, Gabriela Mustata, Peter Wipf, Jacob Johnson, Michael O'Neil, Max Grögl, Alan J. Magill, John S. Lazo

Active compounds identified in primary HTS activities were subjected to computational filtering by Leadscope to decrease the number of compounds entering secondary screening activities. After analyses, 553 structural clusters were identified with cluster sizing ranging from 2–360 compounds. Six hundred and forty compounds could not be assigned to a structural cluster and were classified as singletons.

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