4 ms·There are attempts. https://open-reaction-database.org https://open-reaction-database.orgby slashdave 2y agoThere are attempts. https://open-reaction-database.org https://open-reaction-database.orgadastra22 2y agoIs there any open-source structure-based search?slashdave 2y agoSure. 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 agoInteresting. Is there a chemical database you can plug this into?slashdave 2y agoUse any database you wish. They all use standard formats, which RDKit understands.