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Updated: Jun 19, 2026

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基于变压器的分子生成模型用于抗病毒药物设计

Jiashun Mao1, Jianmin Wang1, Amir Zeb2

  • 1The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea.

Journal of chemical information and modeling
|June 27, 2023
PubMed
概括

TransAntivirus是一种新的生成模型,通过使用IUPAC命名法转换分子来增强抗病毒药物设计. 这种数据驱动的方法改进了模拟设计,导致了针对COVID-19等疾病的新型候选化合物.

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