XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties

Daiguo Deng, Xiaowei Chen, Ruochi Zhang, Zengrong Lei, Xiaojian Wang, Fengfeng Zhou. XGraphBoost: Extracting Graph Neural Network-Based Features for a Better Prediction of Molecular Properties. Journal of Chemical Information and Computer Sciences, 61(6):2697-2705, 2021. [doi]

Authors

Daiguo Deng

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Xiaowei Chen

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Ruochi Zhang

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Zengrong Lei

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Xiaojian Wang

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Fengfeng Zhou

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