TRAP:一种对比学习增强的框架,用于强大的TCR-pMHC绑定预测,并具有更好的概括性
Jingxuan Ge1,2, Jike Wang1,2, Qing Ye1
1College of Pharmaceutical Sciences, Zhejiang University Hangzhou 310058 Zhejiang China kimhsieh@zju.edu.cn tingjunhou@zju.edu.cn.
Chemical science
|May 5, 2025
概括
新的机器学习模型TRAP准确地预测T细胞受体 (TCR) 和-MHC (pMHC) 的结合. 它通过优于现有模型的性能来改善免疫疗法开发,特别是与新型表征.
科学领域:
- 免疫学 免疫学 免疫学
- 计算生物学 计算生物学
- 机器学习 机器学习
背景情况:
- 对于适应性免疫来说,T细胞受体 (TCR) 和-MHC (pMHC) 相互作用至关重要.
- 准确预测TCR-pMHC结合对于推进免疫疗法至关重要.
- 当前的机器学习模型难以预测与未见的表现物结合的关系.
研究的目的:
- 开发一种新的机器学习模型,TRAP,用于增强TCR-pMHC绑定预测.
- 提高TCR-pMHC结合预测模型的性能,特别是对于新型表征.
- 为了实现现实世界的免疫疗法应用的大规模预测.
主要方法:
- TRAP利用对比学习来整合pMHC和TCR的结构和序列特征.
- 该模型将pMHC结构/序列数据与TCR序列对齐,以改善预测.
- 在随机和看不见的表位数据集上评估了性能.
主要成果:
- 在随机 (AUC 0.92) 和未见表位 (AUC 0.75) 场景中,TRAP显著优于现有的最先进模型.
- 在随机场景中,在AUPR (0.84) 中取得了22%的改善.
- 在诊断TCR交叉反应性和识别有力的TCR方面表现出能力.
结论:
- TRAP为TCR-pMHC绑定预测提供了一个强大而准确的工具.
- 该模型显示了加速开发基于TCR的免疫疗法的巨大潜力.
- TRAP的性能支持其在大规模预测和现实环境中的应用.
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