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Pharmacelera_​VS_​ROCcurve

Workflow

Pharmacelera_VS_ROCcurve

Workflow to perform 3D Ligand-Based Virtual Screening benchmark with PharmScreen.

- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changing the parameters on the Ligand Preparation and Virtual Screening nodes.

Parametrization Output files Virtual Screening Settings ROC curvegeneration Pharmacelera Knime WorkFlow: Pharmacelera_VS_ROCcurveWorkflow to perform 3D Ligand-Based Virtual Screening benchmark with PharmScreen.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changingthe parameters on the Ligand Preparation and Virtual Screening nodes. ROC curvesdf rankingVSReferenceParametrizationLibraryParametrizationranking Image Writer (Port) ROC Curve Builder Settings SDF Writer Virtual Screening Ligand Preparation Ligand Preparation CSV Writer Parametrization Output files Virtual Screening Settings ROC curvegeneration Pharmacelera Knime WorkFlow: Pharmacelera_VS_ROCcurveWorkflow to perform 3D Ligand-Based Virtual Screening benchmark with PharmScreen.- To run the workflow fill each option of the Settings node, optionally is possible to perform a customized Virtual Screening changingthe parameters on the Ligand Preparation and Virtual Screening nodes. ROC curvesdf rankingVSReferenceParametrizationLibraryParametrizationranking Image Writer (Port) ROC Curve Builder Settings SDF Writer Virtual Screening Ligand Preparation Ligand Preparation CSV Writer

Download

Get this workflow from the following link: Download

Nodes

Pharmacelera_​VS_​ROCcurve consists of the following 29 nodes(s):

Plugins

Pharmacelera_​VS_​ROCcurve contains nodes provided by the following 6 plugin(s):