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English(EN) DegradeQuery: Counterfactual Tuple Pretraining for Context-Aware PROTAC Degradation Prediction

DegradeQuery框架通过对立元组预训练提升PROTAC降解预测能力

研究人员开发了DegradeQuery,一个用于预测PROTAC诱导的蛋白质降解的新框架。该方法通过对立元组目标,将公共数据库中未充分利用的、缺少标签的记录转化为预训练信号。这种方法使模型能够在没有明确活性标签的情况下学习上下文关联。当应用于PROTAC-8K基准测试时,DegradeQuery取得了0.9065的AUC和0.8500的准确率,优于现有方法。 AI

影响 提高了蛋白质降解预测的准确性,有望加速药物发现和开发。

排序理由 该集群描述了一篇详细介绍新框架及其在基准测试中性能的新研究论文。

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DegradeQuery框架通过对立元组预训练提升PROTAC降解预测能力

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报道来源 [2]

  1. arXiv cs.AI TIER_1 English(EN) · Dong Xu, Zhangfan Yang, Jiantao Wu, Zexuan Zhu, Jianqiang Li, Junkai Ji ·

    DegradeQuery: 针对上下文感知PROTAC降解预测的反事实元组预训练

    arXiv:2608.10595v1 Announce Type: cross Abstract: Proteolysis-targeting chimeras (PROTACs) induce protein degradation by recruiting a target protein to an E3 ubiquitin ligase, making degradation a joint outcome of the degrader molecule and its biological context. Although public …

  2. Hugging Face Daily Papers TIER_1 English(EN) ·

    DegradeQuery:面向上下文感知PROTAC降解预测的逆事实元组预训练

    Proteolysis-targeting chimeras (PROTACs) induce protein degradation by recruiting a target protein to an E3 ubiquitin ligase, making degradation a joint outcome of the degrader molecule and its biological context. Although public databases contain thousands of structured molecule…