Global reactivity models are impactful in industrial synthesis applications

Overview of attention for article published in Journal of Cheminformatics, February 2023

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グローバルな反応性モデルは、工業合成アプリケーションに影響を与えます SMILES起因の不都合等を解消する埋め込み層を導入し、1600万以上の反応について事前学習させた、不確実性を校正したグローバルな収量予測モデルBEE(BERT Enriched Embedding)の提案。実装あり。https://t.co/FL2U3gdTEs

20 Feb 2023

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new: "Global reactivity models are impactful in industrial synthesis applications" https://t.co/1OKpj06fBO https://t.co/HAb7gfyFZY

14 Feb 2023

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