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Combine Canvas Fingerprints

SchrödingerCheminformaticsUtilities and Converters
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Combines fingerprints for distinct or overlapping sets of molecules. When a molecule appears more than once, the bit sets are combined using a logical OR. If fingerprints were created using the -scaling flag, real-valued data for duplicate molecules are averaged.

Backend implementation

utilities/canvasFPCombine
canvasFPCombine is used to implement this node.

Node details

Input ports
  1. Type: Table
    Input Fingerprint 1
    Input Fingerprint 1
  2. Type: Table
    Input Fingerprint 2
    Input Fingerprint 2
Output ports
  1. Type: Table
    Combined Fingerprints
    Resulting combined Fingerprints

Extension

The Combine Canvas Fingerprints 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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