1.Introducing block design in graph neural networks for molecular properties prediction

Li, YQ, Li, PY, Yang     More...

Li, YQ, Li, PY, Yang, X, Hsieh, CY, Zhang, SY, Wang, XR, Lu, RQ, Liu, HX, Yao, XJ     Less

CHEMICAL ENGINEERING JOURNAL[1385-8947], Published 2021, Volume 414,

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WOS核心合集引用: 10  2022影響因子:  15.1  发表年影響因子:  16.744 

2.RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions

Wang, XR, Li, YQ, Qi     More...

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CHEMICAL ENGINEERING JOURNAL[1385-8947], Published 2021, Volume 420,

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3.Prediction of infinite-dilution activity coefficients of organic solutes in ionic liquids using temperature-dependent quantitative structure-property relationship method

Xi, LL, Sun, HJ, Li,     More...

Xi, LL, Sun, HJ, Li, JZ, Liu, HX, Yao, XJ, Gramatica, P     Less

CHEMICAL ENGINEERING JOURNAL[1385-8947], Published 2010, Volume 163, Issue 3, Pages 195-201

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WOS核心合集引用: 23  2022影響因子:  15.1  发表年影響因子:  3.074