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NodeNode / Manipulator

REOS Filter
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Filter and eliminate non-drug-like molecules using standard REOS (Rapid Elimination of Swill) rules.

Backend implementation

utilities/canvasSearch
canvasSearch is used to implement this node.

Node details

Input ports
  1. Type: Table
    Target Molecules
    Target molecules in Smiles (default), Maestro, or Sd format
Output ports
  1. Type: Table
    Output Matches
    Target molecules that passed the filter in Smiles (default), Maestro, or Sd format
  2. Type: Table
    Output Non-Matches
    Target molecules filtered out in Smiles (default), Maestro, or Sd format

Extension

The REOS Filter node is part of this extension: