Pack: Workflows for scaffold trend analyses

Created: 2017-06-22 13:01:47      Last updated: 2018-06-14 09:37:37
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Title: Workflows for scaffold trend analyses


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These two KNIME workflows were used to process the raw data (retrieved via sql query from ChEMBL) in order to retrieve the final data for scaffold trend analyses as described in the paper: "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. Guha, Journal of Medicinal Chemistry, 2018, 61 (11), pp 4688-4703.

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