Hi Goutam,
I assume you are typing the first example interactively in the Python
interpreter or in a ipython shell or Jupyter notebook.
In that case you only need to enter the same commands in a text editor, save
the script with a name (e.g., substructure.py) and run it from a shell;
python
Hi All,
I have one query about Substructure matching using RDKit.
I have a target SMILES codes (Required to convert Canonical SMILES format)
which may content 1 or more than one SMILES code
I have one more file, a query file, which content just one SMILES code of a
small fragment. Say,
Target
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