NodeCanvas Fingerprint Generation

Source

Generate molecular fingerprints

Backend implementation

utilities/canvasFPGen
canvasFPGen is used to implement this node.

Input Ports

  1. Port Type: Data
    Molecules in Maestro, SMILES or SD format

Output Ports

  1. Port Type: Data
    Molecular fingerprints in Binary format
  2. Port Type: Data
    Molecules that failed to generate a fingerprint