Workflows

Search filter terms
Filter by type
Filter by tag
Filter by user
Filter by licence
Results per page:
Sort by:
Showing 1 result.
Type: Pipeline Pilot Tag: metabolite-likeness Licence: by-sa

Workflow Wash and filter molecules (1)

Thumb
The Wash and Filter workflow performs some processing on incoming structures to filter out those wildcards or unspecified atom types, standardise stereo and charges, and various other adjustments. This is an advance on the filter used in the paper... Drug Discovery Today Volume 14, Issues 1-2, January 2009, Pages 31-40 ‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries  

Created: 2009-01-20

Credits: User Paul Dobson

Results per page:
Sort by: