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Is there any open-source structure-based search?

• slashdave 2y ago
  Sure. RDKit supports SMARTS. https://www.rdkit.org/docs/source/rdkit.Chem.rdchem.html#rdkit.Chem.rdchem.Mol.GetSubstructMatch https://www.rdkit.org/docs/source/rdkit.Chem.rdchem.html#rdk...
  • adastra22 2y ago
    Interesting. Is there a chemical database you can plug this into?
    • slashdave 2y ago
      Use any database you wish. They all use standard formats, which RDKit understands.