Application of the Artificial Neural Networks for the Prediction of Reactivity of Molecules in Radical Reactions

机译：人工神经网络在自由基反应中分子反应性预测中的应用

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In article an application of a feed-forward artificial neural network (ANN), trained on experimental sample, for an estimation of reactivity of organic molecules in radical reactions is considered. Results of training and a prediction of the network are discussed.

机译：在文章中，考虑了在实验样本上训练的前馈人工神经网络（ANN）的应用，用于估计有机分子在自由基反应中的反应性。讨论了训练结果和网络预测。

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来源
《Mathematical modelling and simulation in applied science》|2012年|62-65|共4页
会议地点 Rovaniemi(FI)
作者
TUMANOV V.E.; GAIFULLIN B.N.;
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作者单位

Department of Computing and Informational Resources Institute of Problems of Chemical Physics RAS 142432, Chernogolovka, Semenov ave, 1 RUSSIAN FEDERATION;

Department of Computing and Informational Resources Institute of Problems of Chemical Physics RAS 142432, Chernogolovka, Semenov ave, 1 RUSSIAN FEDERATION;

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原文格式 PDF
正文语种 eng
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关键词
feed-forward artificial neural network; subject-oriented science intelligence system; rate coefficients; reactivity of organic molecules.;

机译：前馈人工神经网络面向学科的科学情报系统；速率系数；有机分子的反应性。;

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Application of the Artificial Neural Networks for the Prediction of Reactivity of Molecules in Radical Reactions

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