2 ms·

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

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.