Identifying the kind behind SMILES - anatomical therapeutic chemical classification using structure-only representations

Yi Cao, Zhen-Qun Yang, Xu-Lu Zhang, Wenqi Fan, Yaowei Wang, Jiajun Shen, Dong-Qing Wei, Qing Li, Xiao-Yong Wei. Identifying the kind behind SMILES - anatomical therapeutic chemical classification using structure-only representations. Briefings in Bioinformatics, 23(5), 2022. [doi]

Authors

Yi Cao

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Zhen-Qun Yang

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Xu-Lu Zhang

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Wenqi Fan

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Yaowei Wang

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Jiajun Shen

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Dong-Qing Wei

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Qing Li

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Xiao-Yong Wei

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