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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

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: adeplano
Created at: 2019-10-08
On NodePit since: 2020-04-09
Last update: 2024-12-21
Created with KNIME version: v4.1.2

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