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通过深度学习高效预测抗癌肽

Efficient prediction of anticancer peptides through deep learning.

作者信息

Salam Abdu, Ullah Faizan, Amin Farhan, Ahmad Khan Izaz, Garcia Villena Eduardo, Kuc Castilla Angel, de la Torre Isabel

机构信息

Department of Computer Science, Abdul Wali Khan University, Mardan, Pakistan.

Department of Computer Science, Bacha Khan University, Charsadda, Pakistan.

出版信息

PeerJ Comput Sci. 2024 Jul 19;10:e2171. doi: 10.7717/peerj-cs.2171. eCollection 2024.

Abstract

BACKGROUND

Cancer remains one of the leading causes of mortality globally, with conventional chemotherapy often resulting in severe side effects and limited effectiveness. Recent advancements in bioinformatics and machine learning, particularly deep learning, offer promising new avenues for cancer treatment through the prediction and identification of anticancer peptides.

OBJECTIVE

This study aimed to develop and evaluate a deep learning model utilizing a two-dimensional convolutional neural network (2D CNN) to enhance the prediction accuracy of anticancer peptides, addressing the complexities and limitations of current prediction methods.

METHODS

A diverse dataset of peptide sequences with annotated anticancer activity labels was compiled from various public databases and experimental studies. The sequences were preprocessed and encoded using one-hot encoding and additional physicochemical properties. The 2D CNN model was trained and optimized using this dataset, with performance evaluated through metrics such as accuracy, precision, recall, F1-score, and area under the receiver operating characteristic curve (AUC-ROC).

RESULTS

The proposed 2D CNN model achieved superior performance compared to existing methods, with an accuracy of 0.87, precision of 0.85, recall of 0.89, F1-score of 0.87, and an AUC-ROC value of 0.91. These results indicate the model's effectiveness in accurately predicting anticancer peptides and capturing intricate spatial patterns within peptide sequences.

CONCLUSION

The findings demonstrate the potential of deep learning, specifically 2D CNNs, in advancing the prediction of anticancer peptides. The proposed model significantly improves prediction accuracy, offering a valuable tool for identifying effective peptide candidates for cancer treatment.

FUTURE WORK

Further research should focus on expanding the dataset, exploring alternative deep learning architectures, and validating the model's predictions through experimental studies. Efforts should also aim at optimizing computational efficiency and translating these predictions into clinical applications.

摘要

背景

癌症仍然是全球主要的死亡原因之一,传统化疗常常导致严重的副作用且效果有限。生物信息学和机器学习,尤其是深度学习的最新进展,通过预测和识别抗癌肽为癌症治疗提供了有前景的新途径。

目的

本研究旨在开发和评估一种利用二维卷积神经网络(2D CNN)的深度学习模型,以提高抗癌肽的预测准确性,解决当前预测方法的复杂性和局限性。

方法

从各种公共数据库和实验研究中汇编了具有注释抗癌活性标签的肽序列的多样化数据集。使用独热编码和其他理化性质对序列进行预处理和编码。使用该数据集对2D CNN模型进行训练和优化,并通过准确率、精确率、召回率、F1分数和受试者工作特征曲线下面积(AUC-ROC)等指标评估性能。

结果

与现有方法相比,所提出的2D CNN模型表现出卓越的性能,准确率为0.87,精确率为0.85,召回率为0.89,F1分数为0.87,AUC-ROC值为0.91。这些结果表明该模型在准确预测抗癌肽和捕捉肽序列内复杂的空间模式方面是有效的。

结论

研究结果证明了深度学习,特别是2D CNN在推进抗癌肽预测方面的潜力。所提出的模型显著提高了预测准确性,为识别有效的癌症治疗肽候选物提供了有价值的工具。

未来工作

进一步的研究应集中在扩大数据集、探索替代的深度学习架构以及通过实验研究验证模型的预测。还应努力优化计算效率并将这些预测转化为临床应用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/020c/11323142/bf09a23c068e/peerj-cs-10-2171-g001.jpg

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