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TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson

Jan C Brammer1, Gerd Blanke2, Claudia Kellner3

  • 1Institut für Anorganische Chemie, RWTH Aachen, Landoltweg 1a, 52074, Aachen, Germany.

Journal of Cheminformatics
|September 28, 2022
PubMed

Keywords:
CanonicalizationChemical identifierCheminformaticsLine notationsMolecular graphsMolecular representationMolecule isomorphismPythonSoftware library

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