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Please, see demonstrating the usage of MolSearch class.
Please, see demonstrating the usage of StandardizedMolSearch class.
For further information, see the following resources:

  • JChem Query Guide
  • Structural Search Using ChemAxon Tools (.ppt  or .pdf poster version)
  • Power search: How to tune search for efficiency and performance - 2006 UGM presentation

    Duplicate search

    There are several ways for searching for duplicates in a file. First you have to import the file as described in files and strings. Then you can search the read array of Molecule objects in the following ways.