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Updated: Jan 30, 2026

Predicting Catalyst Extrudate Breakage Based on the Modulus of Rupture
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Published on: May 13, 2018

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コンピュータ駆動のワークフローと機械学習による高選択性の触媒の予測

Andrew F Zahrt1, Jeremy J Henle1, Brennan T Rose1

  • 1Roger Adams Laboratory, Department of Chemistry, University of Illinois, Urbana, IL 61801, USA.

Science (New York, N.Y.)
|January 19, 2019
PubMed
まとめ

この研究は,非対称反応を加速するキラル触媒の選択のための計算アプローチを導入します. 機械学習モデルは触媒の選択性を正確に予測し 化学合成の効率を向上させます

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