Snapshot of the Pack: Workflows for scaffold trend analyses

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Pack Details

Title Workflows for scaffold trend analyses
Items 2
Created by Barbara Zdrazil
Created at 13:01:47 on Thursday, 22 June 2017
Last updated at 09:37:37 on Thursday, 14 June 2018

Description

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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