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.
Workflow
Pharmacelera_VS_ROCcurve
Used extensions & nodes
Created with KNIME Analytics Platform version 4.1.2
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License (CC-BY-4.0)