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Extraction of organic chemistry grammar from unsupervised learning of chemical reactions | Synapse

April 7, 2021Open Access

Extraction of organic chemistry grammar from unsupervised learning of chemical reactions

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Abstract

RXNmapper constructs coherent atom-mapping rules from raw chemical reactions using unsupervised training of neural networks.

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Cite This Study

Schwaller et al. (Wed,) studied this question.

synapsesocial.com/papers/69440d86fe81bcbc9800995a https://doi.org/https://doi.org/10.1126/sciadv.abe4166

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