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Multi-dimensional Scaling

SchrödingerCheminformaticsUtilities and Converters
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Multi-dimension scaling driver program

Backend implementation

utilities/canvasMDS
canvasMDS is used to implement this node.

Node details

Input ports
  1. Type: Table
    Molecules in Maestro or SD format and input data or canvas binary matrix
    The input should include a molecule (Maestro or SD) and numerical data columns that make up a symmetric distance matrix or a canvas binary matrix
Output ports
  1. Type: Table
    Multi-dimensional scaling data
    The output includes the multi-dimensional scaling information computed plus the input, if specified (i.e., the molecule or all columns)

Extension

The Multi-dimensional Scaling node is part of this extension:

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Related workflows & nodes

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