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Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models.

Dejun JiangZhenxing WuChang-Yu HsiehGuangyong ChenBen LiaoZhe WangChao ShenDong-Sheng CaoJian WuTingjun Hou
Published in: J. Cheminformatics (2021)
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