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機械学習を用いたC-Nクロスカップリングにおける反応性能の予測

Derek T Ahneman1, Jesús G Estrada1, Shishi Lin2

  • 1Department of Chemistry, Princeton University, Princeton, NJ 08544, USA.

Science (New York, N.Y.)
|February 17, 2018
PubMed
まとめ

機械学習は合成反応のパフォーマンスを予測します ランダムフォレストモデルは,複雑な化学反応における収穫量を正確に予測し,より広範な合成方法の採用のために線形回帰を改善します.

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