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

April 7, 2021Open Access

化学反応の非監督学習から有機化学の文法を抽出する

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Abstract

RXNmapperは、ニューラルネットワークの非監督学習を利用して、生の化学反応から一貫した原子マッピングルールを構築します。

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Schwaller et al. (水曜日) はこの問題を研究しました。

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

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