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

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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]

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