Department of Computer Science, Faculty of College of Computer and Information Sciences, Majmaah University, 11952, Majmaah, Saudi Arabia.
Department of Computer Science, Faculty of Computer and Information Systems, Islamic University of Madinah, 42351, Medinah, Saudi Arabia.
Sci Rep. 2024 Jun 20;14(1):14263. doi: 10.1038/s41598-024-63446-5.
Hemolysis is a crucial factor in various biomedical and pharmaceutical contexts, driving our interest in developing advanced computational techniques for precise prediction. Our proposed approach takes advantage of the unique capabilities of convolutional neural networks (CNNs) and transformers to detect complex patterns inherent in the data. The integration of CNN and transformers' attention mechanisms allows for the extraction of relevant information, leading to accurate predictions of hemolytic potential. The proposed method was trained on three distinct data sets of peptide sequences known as recurrent neural network-hemolytic (RNN-Hem), Hlppredfuse, and Combined. Our computational results demonstrated the superior efficacy of our models compared to existing methods. The proposed approach demonstrated impressive Matthews correlation coefficients of 0.5962, 0.9111, and 0.7788 respectively, indicating its effectiveness in predicting hemolytic activity. With its potential to guide experimental efforts in peptide design and drug development, this method holds great promise for practical applications. Integrating CNNs and transformers proves to be a powerful tool in the fields of bioinformatics and therapeutic research, highlighting their potential to drive advancement in this area.
溶血是各种生物医学和制药背景下的一个关键因素,这促使我们有兴趣开发先进的计算技术来进行精确预测。我们提出的方法利用卷积神经网络 (CNN) 和转换器的独特功能来检测数据中固有的复杂模式。CNN 和转换器的注意力机制的集成允许提取相关信息,从而实现溶血潜力的准确预测。所提出的方法在三个不同的肽序列数据集上进行了训练,这些数据集分别称为递归神经网络溶血 (RNN-Hem)、Hlppredfuse 和组合。我们的计算结果表明,与现有方法相比,我们的模型具有更高的功效。所提出的方法分别展示了令人印象深刻的 Matthews 相关系数 0.5962、0.9111 和 0.7788,表明其在预测溶血活性方面的有效性。由于该方法有可能指导肽设计和药物开发方面的实验工作,因此在实际应用中具有很大的潜力。事实证明,将 CNN 和转换器集成是生物信息学和治疗研究领域的有力工具,突显了它们在该领域推动进步的潜力。