Icon

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

Nodes

Extensions

Links

Download

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: 2024-04-26
Created with KNIME version: v4.1.2

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!