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CHA Re-Score

LigandScout Molecular Dynamics
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The CHA Re-Score node reads hit-lists (usually from the activity profiling node) and re-scores them according to their activity profiles. The resulting new scores are added as molecule properties to the output table.

Node details

Input ports
  1. Type: Table
    Activity profiles
    Table containing the hit-lists (molecule tables usually retrieved from the 'Activity Profiling' node)
  2. Type: Table
    Pharmacophore Table
    Table containing the pharmacophore models from the CHA Filter Node
Output ports
  1. Type: Table
    Output molecule table
    Table containing the molecules with CHA scores

Extension

The CHA Re-Score node is part of this extension: