Jiang Mengnan, Yu Zilan, Lan Xun
School of Medicine, Tsinghua University, Beijing 100084, China.
Centre for Life Sciences, Tsinghua University, Beijing 100084, China.
iScience. 2024 Apr 18;27(5):109770. doi: 10.1016/j.isci.2024.109770. eCollection 2024 May 17.
This study introduces VitTCR, a predictive model based on the vision transformer (ViT) architecture, aimed at identifying interactions between T cell receptors (TCRs) and peptides, crucial for developing cancer immunotherapies and vaccines. VitTCR converts TCR-peptide interactions into numerical AtchleyMaps using Atchley factors for prediction, achieving AUROC (0.6485) and AUPR (0.6295) values. Benchmark analysis indicates VitTCR's performance is comparable to other models, with further comparative studies suggested to understand its effectiveness in varied contexts. Additionally, integrating a positional bias weight matrix (PBWM), derived from amino acid contact probabilities in structurally resolved pMHC-TCR complexes, slightly improves VitTCR's accuracy. The model's predictions show weak yet statistically significant correlations with immunological factors like T cell clonal expansion and activation percentages, underscoring the biological relevance of VitTCR's predictive capabilities. VitTCR emerges as a valuable computational tool for predicting TCR-peptide interactions, offering insights for immunotherapy and vaccine development.
本研究介绍了VitTCR,这是一种基于视觉Transformer(ViT)架构的预测模型,旨在识别T细胞受体(TCR)与肽之间的相互作用,这对于开发癌症免疫疗法和疫苗至关重要。VitTCR使用阿奇利因子将TCR-肽相互作用转化为数值阿奇利图谱进行预测,实现了AUROC(0.6485)和AUPR(0.6295)值。基准分析表明,VitTCR的性能与其他模型相当,并建议进行进一步的比较研究,以了解其在不同背景下的有效性。此外,整合从结构解析的pMHC-TCR复合物中的氨基酸接触概率得出的位置偏差权重矩阵(PBWM),可略微提高VitTCR的准确性。该模型的预测与T细胞克隆扩增和激活百分比等免疫因素显示出微弱但具有统计学意义的相关性,强调了VitTCR预测能力的生物学相关性。VitTCR成为预测TCR-肽相互作用的有价值的计算工具,为免疫疗法和疫苗开发提供了见解。