All content

Search filter terms
Filter by category
Filter by type
Filter by tag
Filter by user
Filter by licence
Results per page:
Sort by:
Showing 2 results. Use the filters on the left and the search box below to refine the results.
Type: KNIME Tag: medicinal chemistry literature Licence: by-sa

Workflow Scaffolds_trends_workflow_2 (1)

Thumb
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: User Barbara Zdrazil

Workflow Scaffolds_trends_workflow_1 (1)

Thumb
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: User Barbara Zdrazil

Results per page:
Sort by: