workflowvalid
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If you have a workflow and you are planning to execute it on a large dataset, it is suggested to test the efficiency of the workflow. A virtual screening workflow, for example, can be tested using known reference ligands and “decoy” (presumable) inactive compounds by analyzing how the workflow can discriminate the known reference ligands from the decoys. Using the [[https://mcule.com/search/screen/workflow-validation/|Workflow validation] feature, you can generate a rank ordered list of the actives and decoys and the most critical graphs are displayed that helps you judge if the workflow is worth to be executed e.g. to screen the whole Mcule database.
workflowvalid.1393418359.txt.gz · Last modified: 2014/02/26 12:39 by rkiss