DeepTree-AAPred: Binary tree-based deep learning model for anti-angiogenic peptides prediction

IF 2.7 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS
Fan Zhang, Jinfeng Li, Chun Fang
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引用次数: 0

Abstract

Anti-angiogenic peptides (AAPs) show important potential in tumor therapy by limiting the growth and metastasis of tumor cells. Accurate prediction of AAPs is of very positive significance for the therapeutic efficacy of tumors. The high cost of wet experiments limits the application of large-scale screening. Existing computational methods, although able to solve the problem of wet experiments, still lack in performance. To this end, a deep learning-based anti-angiogenic peptide prediction model, DeepTree-AAPred, is proposed in this study. The model utilizes a binary tree structure and employs protein language pre-training models ProtBERT and ESM-2 to extract 1D and 2D generalized features. It further captures local features and contextual dependencies using BiLSTM and TextCNN, ultimately fusing the output features for AAPs prediction. Extensive experimental results on standard datasets show that DeepTree-AAPred outperforms existing computational methods, demonstrating its potential for practical application in AAPs tasks.

Abstract Image

DeepTree-AAPred:用于抗血管生成肽预测的二叉树深度学习模型
抗血管生成肽(AAPs)通过限制肿瘤细胞的生长和转移在肿瘤治疗中显示出重要的潜力。准确预测AAPs对肿瘤的治疗效果具有非常积极的意义。湿法实验的高成本限制了大规模筛选的应用。现有的计算方法虽然能够解决湿法实验的问题,但在性能上仍存在不足。为此,本研究提出了一种基于深度学习的抗血管生成肽预测模型DeepTree-AAPred。该模型采用二叉树结构,采用蛋白质语言预训练模型ProtBERT和ESM-2提取一维和二维广义特征。它使用BiLSTM和TextCNN进一步捕获本地特征和上下文依赖关系,最终融合aap预测的输出特征。在标准数据集上的大量实验结果表明,DeepTree-AAPred优于现有的计算方法,证明了其在AAPs任务中的实际应用潜力。
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来源期刊
Journal of molecular graphics & modelling
Journal of molecular graphics & modelling 生物-计算机:跨学科应用
CiteScore
5.50
自引率
6.90%
发文量
216
审稿时长
35 days
期刊介绍: The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design. As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.
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