"Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models

There is an intuitive analogy of an organic chemist's understanding of a compound and a language speaker's understanding of a word. Based on this analogy, it is possible to introduce the basic concepts and analyze potential impacts of linguistic analysis to the world of organic chemistry....

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Veröffentlicht in:	Chemical science (Cambridge) 2018, Vol.9 (28), p.6091-6098
Hauptverfasser:	Schwaller, Philippe, Gaudin, Théophile, Lányi, Dávid, Bekas, Costas, Laino, Teodoro
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Language translation Mathematical models Organic chemistry Predictions
Online-Zugang:	Volltext
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