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Workflows for scaffold trend analyses

Created: 2017-06-22 13:01:47 | Last updated: 2018-06-14 09:37:37

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EBI InterProScan (2)

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EBI InterProScan. Stop fannying around with BLAST and use InterProScan instead.

Created: 2007-10-03

EBI NCBI Blast (2)

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EBI NCBI Blast

Created: 2007-10-03

Translate Nucleotide sequence into Peptide... (2)

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Translate Nucleotide sequence into Peptide sequence using EBI Service. Find nucleotide sequence from EBI wsdbfetch(using ref.seq Id NM_005700) 2. Translation nucleotide sequence(from 1) into peptide sequence using EBI EMBOSS4 transeq.

Created: 2007-10-03

Scaffolds_trends_workflow_1 (1)

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First part of the workflow for paper "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. GuhaIncludes initial filtering steps, extraction of Murcko frameworks, inclusion of journal Impact Factors, and calculation of Z-Scores. The example of oxetane substructure search is also included.

Created: 2017-06-22 | Last updated: 2017-06-22

Credits: Barbara Zdrazil

Scaffolds_trends_workflow_2 (1)

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Second part of the workflow for paper "The rise and fall of a scaffold: A trend analysis of scaffolds in the medicinal chemistry literature" by B. Zdrazil and R. GuhaIncludes grouping and filtering steps to retrieve the summary data needed for performing the scaffold trend, bioactivity, and liability analyses.

Created: 2017-06-22

Credits: Barbara Zdrazil