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RDKit Substructure Counter

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This node is used to calculate the number of times a particular query molecule is present in an input molecule. The number of times the query molecule present in the input molecule can be repeated. It is possible to choose the unique number of times the query molecule is present in the input molecule.

Node details

Input ports
  1. Type: Table
    Input molecule table
    Table with input molecule column
  2. Type: Table
    Query molecule table
    Table with input query column
Output ports
  1. Type: Table
    Number of substructures
    Input molecule table with one additional column for each row in the query molecule table. The new columns added contain the number of times that a query molecule is found in the molecule.

Extension

The RDKit Substructure Counter node is part of this extension:

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Related workflows & nodes

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