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Updated: Jun 5, 2025

Modeling an Enzyme Active Site using Molecular Visualization Freeware
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Modeling an Enzyme Active Site using Molecular Visualization Freeware

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从SMILES到增强的分子性质预测:一个统一的多模式框架,预测了3D符合性和对比性学习技术

Long D Nguyen1, Quang H Nguyen1, Quang H Trinh1

  • 1School of Information and Communication Technology, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi 100000, Vietnam.

Journal of chemical information and modeling
|December 6, 2024
PubMed
概括

这项研究引入了一种使用SMILES和3D对应器的新型多模式分子性质预测框架. 该模型通过提高各种分子任务的预测准确度来增强药物发现.

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