Cheminformatics - Filter results

public public 1yr ago Version: Version 1 0 bookmarks
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cheminformatics-filter-results
cheminformatics-filter-results
cheminformatics-filter-results
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This workflow combines SDF files from all fragments into a single dataset and filters to include only the lowest (best) scoring pose for each compound. This file of optimal poses for all ligands is used to compare to a database of Enamine and Chemspace compounds to select the best scoring 500 matches. More info can be found at https://covid19.galaxyproject.org/cheminformatics/

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Created: 1yr ago
Updated: 1yr ago
Maitainers: public
URL: https://usegalaxy.eu/workflows/trs_import?trs_server=workflowhub.eu&run_form=true&trs_id=17&trs_version=1
Name: cheminformatics-filter-results
Version: Version 1
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Copyright: Public Domain
License: MIT License
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