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Maximum Common Substructure Search

SchrödingerCheminformaticsFilters and Mining Tools
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Finds maximum common substructure among a given set of molecules.

Backend implementation

utilities/canvasMCS
canvasMCS is used to implement this node.

Node details

Input ports
  1. Type: Table
    Input Molecules
    Input can either be Maestro, Smiles, or Sd. If Smiles, then the Title column is selected as well.
Output ports
  1. Type: Table
    Output
    Output can either be CSV, Sd, or Maestro type

Extension

The Maximum Common Substructure Search node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
  2. Go to item
  3. Go to item

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