Wash and filter molecules

Created: 2009-01-20 10:11:25

Download Workflow

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

Preview

Run

Not available

Workflow Components

Not available

Information Workflow Type

Pipeline Pilot

Information Uploader

Paul Dobson

Information License

All versions of this Workflow are licensed under:

Information Version 1 (of 1)

Information Credits (1)

(People/Groups)

Paul Dobson

Information Attributions (0)

(Workflows/Files)

None

Information Tags (2)

Uploader tags

Log in to add Tags

Information Shared with Groups (0)

None

Information Featured In Packs (0)

None

Log in to add to one of your Packs

Information Attributed By (0)

(Workflows/Files)

None

Information Favourited By (1)

Paul Fisher

Information Statistics

2837 viewings

1503 downloads

[ see breakdown ]

Citations (0)

None

Version History

In chronological order:

Wash and filter molecules

Created by Paul Dobson on Tuesday 20 January 2009 10:11:25 (UTC)

Reviews (0)

No reviews yet

Be the first to review!

Comments (0)

View Timeline

No comments yet

Log in to make a comment

Other workflows that use similar services (0)

There are no workflows in myExperiment that use similar services to this Workflow.