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Exploring Novel Fentanyl Analogues Using a Graph-Based Transformer Model

Guangle Zhang,Yuan Zhang, Ling Li, Jiaying Zhou,Honglin Chen,Jinwen Ji, Yanru Li,Yue Cao, Zhihui Xu,Cong Pian

INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES(2024)

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关键词
Molecule generation,Deep generative model,Fentanyl analogues,Molecular graph
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