{"title":"利用卷积神经网络改进药物相互作用预测的研究","authors":"","doi":"10.1016/j.asoc.2024.112242","DOIUrl":null,"url":null,"abstract":"<div><p>Appropriate studies on drug–drug interactions (DDIs) can evade possible adverse side effects due to the ingestion of multiple drugs. This paper proposes a novel framework called <em>Similarity Network Fusion and Hybrid Convolutional Neural Network (SNF–HCNN)</em> to predict the DDIs better. The proposed framework leverages data from DrugBank, PubChem, and SIDER. Seven critical drug features are extracted: <em>Target</em>, <em>Transporter</em>, <em>Enzymes</em>, <em>Chemical substructure</em>, <em>Carrier</em>, <em>Offside</em>, and <em>Side effects</em>. The Jaccard Similarity measure evaluates the similarity of drug features to construct a comprehensive similarity matrix that effectively captures potential drug relationships and patterns. The similarity selection process identifies the most relevant features, reduces redundancy, and enhances identifying potential drug interactions. Integrating Similarity Network Fusion (SNF) with the selected similarity matrix ensures a comprehensive representation of drug features and leads to superior accuracy compared to conventional methods. Our experimental results demonstrate the effectiveness of the proposed hybrid convolutional neural network (HCNN) architectures, such as CNN+LR (CNN+Logistic Regression), CNN+RF (CNN+Random Forest), and CNN+SVM (CNN+Support Vector Machine), showing impressive accuracies of 95.19%, 94.45%, and 93.65%, respectively. Moreover, CNN+LR outperforms other approaches regarding precision, sensitivity, F1-score, and AUC score, which implicate better outcomes for ensuring medication safety aspects in clinical settings in the future.</p></div>","PeriodicalId":50737,"journal":{"name":"Applied Soft Computing","volume":null,"pages":null},"PeriodicalIF":7.2000,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A study on improving drug–drug interactions prediction using convolutional neural networks\",\"authors\":\"\",\"doi\":\"10.1016/j.asoc.2024.112242\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Appropriate studies on drug–drug interactions (DDIs) can evade possible adverse side effects due to the ingestion of multiple drugs. This paper proposes a novel framework called <em>Similarity Network Fusion and Hybrid Convolutional Neural Network (SNF–HCNN)</em> to predict the DDIs better. The proposed framework leverages data from DrugBank, PubChem, and SIDER. Seven critical drug features are extracted: <em>Target</em>, <em>Transporter</em>, <em>Enzymes</em>, <em>Chemical substructure</em>, <em>Carrier</em>, <em>Offside</em>, and <em>Side effects</em>. The Jaccard Similarity measure evaluates the similarity of drug features to construct a comprehensive similarity matrix that effectively captures potential drug relationships and patterns. The similarity selection process identifies the most relevant features, reduces redundancy, and enhances identifying potential drug interactions. Integrating Similarity Network Fusion (SNF) with the selected similarity matrix ensures a comprehensive representation of drug features and leads to superior accuracy compared to conventional methods. Our experimental results demonstrate the effectiveness of the proposed hybrid convolutional neural network (HCNN) architectures, such as CNN+LR (CNN+Logistic Regression), CNN+RF (CNN+Random Forest), and CNN+SVM (CNN+Support Vector Machine), showing impressive accuracies of 95.19%, 94.45%, and 93.65%, respectively. Moreover, CNN+LR outperforms other approaches regarding precision, sensitivity, F1-score, and AUC score, which implicate better outcomes for ensuring medication safety aspects in clinical settings in the future.</p></div>\",\"PeriodicalId\":50737,\"journal\":{\"name\":\"Applied Soft Computing\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":7.2000,\"publicationDate\":\"2024-09-13\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Soft Computing\",\"FirstCategoryId\":\"94\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1568494624010160\",\"RegionNum\":1,\"RegionCategory\":\"计算机科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Soft Computing","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1568494624010160","RegionNum":1,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE","Score":null,"Total":0}
A study on improving drug–drug interactions prediction using convolutional neural networks
Appropriate studies on drug–drug interactions (DDIs) can evade possible adverse side effects due to the ingestion of multiple drugs. This paper proposes a novel framework called Similarity Network Fusion and Hybrid Convolutional Neural Network (SNF–HCNN) to predict the DDIs better. The proposed framework leverages data from DrugBank, PubChem, and SIDER. Seven critical drug features are extracted: Target, Transporter, Enzymes, Chemical substructure, Carrier, Offside, and Side effects. The Jaccard Similarity measure evaluates the similarity of drug features to construct a comprehensive similarity matrix that effectively captures potential drug relationships and patterns. The similarity selection process identifies the most relevant features, reduces redundancy, and enhances identifying potential drug interactions. Integrating Similarity Network Fusion (SNF) with the selected similarity matrix ensures a comprehensive representation of drug features and leads to superior accuracy compared to conventional methods. Our experimental results demonstrate the effectiveness of the proposed hybrid convolutional neural network (HCNN) architectures, such as CNN+LR (CNN+Logistic Regression), CNN+RF (CNN+Random Forest), and CNN+SVM (CNN+Support Vector Machine), showing impressive accuracies of 95.19%, 94.45%, and 93.65%, respectively. Moreover, CNN+LR outperforms other approaches regarding precision, sensitivity, F1-score, and AUC score, which implicate better outcomes for ensuring medication safety aspects in clinical settings in the future.
期刊介绍:
Applied Soft Computing is an international journal promoting an integrated view of soft computing to solve real life problems.The focus is to publish the highest quality research in application and convergence of the areas of Fuzzy Logic, Neural Networks, Evolutionary Computing, Rough Sets and other similar techniques to address real world complexities.
Applied Soft Computing is a rolling publication: articles are published as soon as the editor-in-chief has accepted them. Therefore, the web site will continuously be updated with new articles and the publication time will be short.