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Convert Table to FingerPrint

SchrödingerCheminformaticsUtilities and Converters
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This node inputs a table, which consists of a molecule name and a n-by-m matrix of double precision numbers, where n is the number of molecules, and m is the number of descriptors/bits. The output is a binary cell which can be used in other Canvas tools.

Backend implementation

utilities/canvasCSV2FPBinary
canvasCSV2FPBinary is used to implement this node.

Node details

Input ports
  1. Type: Table
    FingerPrints in table format
    A table with a molecule title column and N numerical columns, where N is the number of molecules/rows in the table
Output ports
  1. Type: Table
    FingerPrints in Canvas Binary format
    FingerPrints in Canvas Binary format

Extension

The Convert Table to FingerPrint 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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