"Could graph neural networks learn better molecular representation for drug ..."

Dejun Jiang et al. (2021)

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DOI: 10.1186/S13321-020-00479-8

access: open

type: Journal Article

metadata version: 2024-07-30

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Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, Guangyong Chen, Ben Liao, Zhe Wang, Chao Shen, Dong-Sheng Cao, Jian Wu, Tingjun Hou:
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models. J. Cheminformatics 13(1): 12 (2021)

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