workflowvalid
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workflowvalid [2014/02/26 13:09] – rkiss | workflowvalid [2014/02/26 22:00] (current) – rkiss | ||
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====== WORKFLOW VALIDATION ====== | ====== WORKFLOW VALIDATION ====== | ||
- | If you have a workflow and you are planning to execute it on a large dataset, it is suggested to first test the efficiency of the workflow. A virtual screening workflow, for example, can be tested using known reference ligands and " | + | If you have a workflow and you are planning to execute it on a large dataset, it is suggested to first test the efficiency of the workflow. A virtual screening workflow, for example, can be tested using known reference ligands and " |
To do a workflow validation, you first need to execute your workflow on a set of reference ligands. You might upload a set of actives as **[[https:// | To do a workflow validation, you first need to execute your workflow on a set of reference ligands. You might upload a set of actives as **[[https:// | ||
After that, you can run your workflow on a set of " | After that, you can run your workflow on a set of " | ||
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+ | {{: | ||
After you ran your workflow on both the reference ligand and decoy collections you can go to **[[https:// | After you ran your workflow on both the reference ligand and decoy collections you can go to **[[https:// | ||
After the collections, | After the collections, | ||
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+ | {{: | ||
During workflow validation, all entries of the reference ligand and decoy collections will be united into a single database and all entries will be ranked by the selected Metric. When results are displayed on the screen, the number of retrieved actives and the enrichment factors will be plotted as a function of the ranked database. As a reference " | During workflow validation, all entries of the reference ligand and decoy collections will be united into a single database and all entries will be ranked by the selected Metric. When results are displayed on the screen, the number of retrieved actives and the enrichment factors will be plotted as a function of the ranked database. As a reference " |
workflowvalid.1393420168.txt.gz · Last modified: 2014/02/26 13:09 by rkiss