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Updated: Jul 10, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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一个改善药物目标亲和力预测模型通用性的框架

Riza ÖZçelİk1, Alperen Bağ2, Berk Atil1

  • 1Department of Computer Engineering, Boğaziçi University, İstanbul, Turkey.

Journal of computational biology : a journal of computational molecular cell biology
|November 21, 2023
PubMed
概括

DebiasedDTA是一个新的框架,通过解决数据偏差来改进药物向亲和力 (DTA) 预测模型. 这种方法提高了药物发现的模型通用性.

关键词:
计算机化药物发现.药物目标亲和力重要性的权衡权重.在分布之外的泛化概括.一个虚假的相关性.虚拟的药物查是虚拟的药物查.

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