Article

STOUT: SMILES to IUPAC Names Using Neural Machine Translation

2021-03-23

Abstract excerpt

Chemical compounds can be identified through a graphical depiction, a suitable string representation, or a chemical name. A universally accepted naming scheme for chemistry was established by the International Union of Pure and Applied Chemistry (IUPAC) based on a set of rules. Due to the complexity of this rule set a correct chemical name assignment remains challenging for human beings and there are only a few ru...

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Literature Corpus work: 85d3ad12-ab6c-588a-8b6d-84401e98ce94
DOI: 10.26434/chemrxiv.13469202.v2

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