Transformer-based artificial neural networks for the conversion between chemical notations

Abstract We developed a Transformer-based artificial neural approach to translate between SMILES and IUPAC chemical notations: Struct2IUPAC and IUPAC2Struct. The overall performance level of our model is comparable to the rule-based solutions. We proved that the accuracy and speed of computations as...

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Autores principales: Lev Krasnov, Ivan Khokhlov, Maxim V. Fedorov, Sergey Sosnin
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/1ab182b42dd9410f8a7644dd9fb5bc4f
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