基于多视角和多渠道注意力深度学习预测药物相互作用。

IF 4.7 3区 医学 Q1 MEDICAL INFORMATICS Health Information Science and Systems Pub Date : 2023-11-06 eCollection Date: 2023-12-01 DOI:10.1007/s13755-023-00250-x
Liyu Huang, Qingfeng Chen, Wei Lan
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引用次数: 0

摘要

预测药物-药物相互作用(DDIs)已成为药物研究领域的一个主要问题,因为它有助于探索药物的药理学功能,并有助于开发新的治疗药物。现有的预测方法简单地集成多个药物属性或在生物医学知识图(KG)上执行任务。尽管有效,但很少有方法能够充分利用多源药物数据信息。本文提出了一种多视角、多通道注意力深度学习(MMADL)模型,该模型不仅从多源数据库中提取出丰富的既包含药物属性又包含药物实体信息的药物特征,而且还考虑了不同药物特征表示学习方法的一致性和互补性,以提高DDI预测的有效性和准确性。应用单层感知器编码器对多源药物信息进行编码,得到同一线性空间中的多视图药物表示向量。然后,引入多通道注意力机制,根据药物特征对DDI预测的贡献,通过自适应学习药物特征的重要性来获得注意力权重。此外,具有注意力权重的多视图药物对的表示向量被用作深度神经网络的输入,以预测潜在的DDI。MMADL的准确度和精密度召回曲线分别为93.05和95.94。结果表明,所提出的方法优于其他最先进的方法。
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Predicting drug-drug interactions based on multi-view and multichannel attention deep learning.

Predicting drug-drug interactions (DDIs) has become a major concern in the drug research field because it helps explore the pharmacological function of drugs and enables the development of new therapeutic drugs. Existing prediction methods simply integrate multiple drug attributes or perform tasks on a biomedical knowledge graph (KG). Though effective, few methods can fully utilize multi-source drug data information. In this paper, a multi-view and multichannel attention deep learning (MMADL) model is proposed, which not only extracts rich drug features containing both drug attributes and drug-related entity information from multi-source databases, but also considers the consistency and complementarity of different drug feature representation learning approaches to improve the effectiveness and accuracy of DDI prediction. A single-layer perceptron encoder is applied to encode multi-source drug information to obtain multi-view drug representation vectors in the same linear space. Then, the multichannel attention mechanism is introduced to obtain the attention weight by adaptively learning the importance of drug features according to their contributions to DDI prediction. Further, the representation vectors of multi-view drug pairs with attention weights are used as inputs of the deep neural network to predict potential DDI. The accuracy and precision-recall curves of MMADL are 93.05 and 95.94, respectively. The results indicate that the proposed method outperforms other state-of-the-art methods.

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来源期刊
CiteScore
11.30
自引率
5.00%
发文量
30
期刊介绍: Health Information Science and Systems is a multidisciplinary journal that integrates artificial intelligence/computer science/information technology with health science and services, embracing information science research coupled with topics related to the modeling, design, development, integration and management of health information systems, smart health, artificial intelligence in medicine, and computer aided diagnosis, medical expert systems. The scope includes: i.) smart health, artificial Intelligence in medicine, computer aided diagnosis, medical image processing, medical expert systems ii.) medical big data, medical/health/biomedicine information resources such as patient medical records, devices and equipments, software and tools to capture, store, retrieve, process, analyze, optimize the use of information in the health domain, iii.) data management, data mining, and knowledge discovery, all of which play a key role in decision making, management of public health, examination of standards, privacy and security issues, iv.) development of new architectures and applications for health information systems.
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