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The Prediction of Crystal Densities of a Big Data Set Using 1D and 2D Structure Features

Xianlan Li, Dingling Kong,Yue Luan, Lili Guo,Yanhua Lu,Wei Li, Meng Tang,Qingyou Zhang,Aimin Pang

STRUCTURAL CHEMISTRY(2024)

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关键词
Density,Quantitative structure–property relationships,Big data set,Partial least squares,Random forest
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