Visualizing SMARTS
This mainly comes from the REST service provided by the SMARTS plus group at the University of Hamburg:
Imports
from global_chem_extensions import GlobalChemExtensions
cheminformatics = GlobalChemExtensions().cheminformatics()Visualize the SMILES
Algorithm
The code is pretty simple using the base url and passing in the SMARTs string:
To run the code:
From here we can analyze different parts of the SMARTs string and test different things out.
The breakdown of the string:
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