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Updated: Jun 15, 2026

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Published on: December 6, 2024

使用增强数据缩小机器学习评分函数和自由能量扰动之间的差距

Ísak Valsson1, Matthew T Warren2, Charlotte M Deane1

  • 1Oxford Protein Informatics Group, Department of Statistics, University of Oxford, Oxford, UK.

Communications chemistry
|February 8, 2025
PubMed
概括

我们开发了一个新的机器学习模型,AEV-PLIG,用于准确的结合亲和力预测. 这种模型表现出具有竞争力的性能,并且比传统的基于物理的方法快得多,有助于药物发现.

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