Differences

This shows you the differences between two versions of the page.

--- workflowvalid [2014/02/26 13:09] – rkiss
+++ workflowvalid [2014/02/26 13:19] – rkiss
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 ====== 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 "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 help you judge if the workflow is worth to be executed on a larger collection and will be likely identify new actives.
+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 "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 help you judge if the workflow is worth to be executed on a larger collection and will be likely identify new actives.
 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://mcule.com/molecule-upload/smiles|SMILES strings]]** or as **[[https://mcule.com/molecule-upload/|SDF file]]**.