Efficient prediction of drug–drug interaction using deep learning models

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Prashant Kumar Shukla, Piyush Kumar Shukla, Poonam Sharma, Paresh Rawat, Jashwant Samar, Rahul Moriwal, Manjit Kaur
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引用次数: 70

Abstract

A drug–drug interaction or drug synergy is extensively utilised for cancer treatment. However, prediction of drug–drug interaction is defined as an ill-posed problem, because manual testing is only implementable on small group of drugs. Predicting the drug–drug interaction score has been a popular research topic recently. Recently many machine learning models have proposed in the literature to predict the drug–drug interaction score efficiently. However, these models suffer from the over-fitting issue. Therefore, these models are not so-effective for predicting the drug–drug interaction score. In this work, an integrated convolutional mixture density recurrent neural network is proposed and implemented. The proposed model integrates convolutional neural networks, recurrent neural networks and mixture density networks. Extensive comparative analysis reveals that the proposed model significantly outperforms the competitive models.

Abstract Image

使用深度学习模型有效预测药物-药物相互作用
药物-药物相互作用或药物协同作用广泛用于癌症治疗。然而,药物相互作用的预测被定义为一个不适定问题,因为人工测试只能在一小部分药物上实现。药物-药物相互作用评分预测是近年来研究的热点。近年来,文献中提出了许多机器学习模型来有效地预测药物-药物相互作用评分。然而,这些模型存在过度拟合的问题。因此,这些模型对于预测药物-药物相互作用评分并不那么有效。本文提出并实现了一种集成卷积混合密度递归神经网络。该模型集成了卷积神经网络、循环神经网络和混合密度网络。广泛的比较分析表明,所提出的模型明显优于竞争模型。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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