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Canvas Molecular Descriptors

SchrödingerADME and Molecular Properties
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Calculates molecular descriptors.

Backend implementation

utilities/canvasMolDescriptors
canvasMolDescriptors is used to implement this node.

Node details

Input ports
  1. Type: Table
    Molecules in Maestro, SMILES or SD format
    Input Molecules in Maestro, SMILES or SD format
Output ports
  1. Type: Table
    Molecular Descriptors
    All calculated Molecular Descriptors
  2. Type: Table
    Molecules failed to generate molecular descriptors
    molecules failed to generate molecular descriptors

Extension

The Canvas Molecular Descriptors node is part of this extension:

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Related workflows & nodes

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  2. Go to item
  3. Go to item

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