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Regression Prediction of Coupling Reaction Yield Based on Attention-Driven Convolutional Neural Network

Hou, HX; Wang, HZ; Guo, YH; Zhang, PY; Peng, LC; Yang, XH

Yang, XH (通讯作者),Henan Univ, Sch Math & Stat, Henan Engn Res Ctr Artificial Intelligence Theory, Kaifeng 475004, Peoples R China.;Peng, LC (通讯作者),Henan Univ, Natl & Local Joint Engn Res Ctr Appl Technol Hybr, Kaifeng 475004, Peoples R China.

MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 2023; 89 (1): 199

Abstract

The traditional method to improve the yield of Buchwald-Hartwig cross coupling reaction is to change the reactants or reaction conditions, but the rea......

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