Claudia Kellner
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View article: TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson
TUCAN: A molecular identifier and descriptor applicable to the whole periodic table from hydrogen to oganesson Open
TUCAN is a canonicalization and serialization algorithm that is independent of domain-specific concepts of structure and bonding. Beyond the atomic number, all invariants used in the partitioning of a molecule are exclusively derived from …