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Dissimilarity Selection (from Matrix)

SchrödingerCheminformaticsFingerprint Based Tools
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Dissimilarity Based Compound Selection

Backend implementation

utilities/canvasDBCS
canvasDBCS is used to implement this node.

Node details

Input ports
  1. Type: Table
    Pairwise matrix or FingerPrints in Binary format
    Pairwise matrix or Molecular fingerprints (both in binary format). The matrix contains only intra-distances between one set of compounds (i.e. symmetric matrix)
Output ports
  1. Type: Table
    Dissimilarity Selection
    Dissimilarity Selection as a molecule name list (1 String column)

Extension

The Dissimilarity Selection (from Matrix) 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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