Lin Wang, Chenhao Sun, Xianyu Xu, Jia Li, Wenjuan Zhang
{"title":"利用多视角数据预测药物副作用发生频率的邻域正则化方法。","authors":"Lin Wang, Chenhao Sun, Xianyu Xu, Jia Li, Wenjuan Zhang","doi":"10.1093/bioinformatics/btad532","DOIUrl":null,"url":null,"abstract":"<p><strong>Motivation: </strong>A critical issue in drug benefit-risk assessment is to determine the frequency of side effects, which is performed by randomized controlled trails. Computationally predicted frequencies of drug side effects can be used to effectively guide the randomized controlled trails. However, it is more challenging to predict drug side effect frequencies, and thus only a few studies cope with this problem.</p><p><strong>Results: </strong>In this work, we propose a neighborhood-regularization method (NRFSE) that leverages multiview data on drugs and side effects to predict the frequency of side effects. First, we adopt a class-weighted non-negative matrix factorization to decompose the drug-side effect frequency matrix, in which Gaussian likelihood is used to model unknown drug-side effect pairs. Second, we design a multiview neighborhood regularization to integrate three drug attributes and two side effect attributes, respectively, which makes most similar drugs and most similar side effects have similar latent signatures. The regularization can adaptively determine the weights of different attributes. We conduct extensive experiments on one benchmark dataset, and NRFSE improves the prediction performance compared with five state-of-the-art approaches. Independent test set of post-marketing side effects further validate the effectiveness of NRFSE.</p><p><strong>Availability and implementation: </strong>Source code and datasets are available at https://github.com/linwang1982/NRFSE or https://codeocean.com/capsule/4741497/tree/v1.</p>","PeriodicalId":8903,"journal":{"name":"Bioinformatics","volume":null,"pages":null},"PeriodicalIF":4.4000,"publicationDate":"2023-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10491955/pdf/","citationCount":"1","resultStr":"{\"title\":\"A neighborhood-regularization method leveraging multiview data for predicting the frequency of drug-side effects.\",\"authors\":\"Lin Wang, Chenhao Sun, Xianyu Xu, Jia Li, Wenjuan Zhang\",\"doi\":\"10.1093/bioinformatics/btad532\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Motivation: </strong>A critical issue in drug benefit-risk assessment is to determine the frequency of side effects, which is performed by randomized controlled trails. Computationally predicted frequencies of drug side effects can be used to effectively guide the randomized controlled trails. However, it is more challenging to predict drug side effect frequencies, and thus only a few studies cope with this problem.</p><p><strong>Results: </strong>In this work, we propose a neighborhood-regularization method (NRFSE) that leverages multiview data on drugs and side effects to predict the frequency of side effects. First, we adopt a class-weighted non-negative matrix factorization to decompose the drug-side effect frequency matrix, in which Gaussian likelihood is used to model unknown drug-side effect pairs. Second, we design a multiview neighborhood regularization to integrate three drug attributes and two side effect attributes, respectively, which makes most similar drugs and most similar side effects have similar latent signatures. The regularization can adaptively determine the weights of different attributes. We conduct extensive experiments on one benchmark dataset, and NRFSE improves the prediction performance compared with five state-of-the-art approaches. Independent test set of post-marketing side effects further validate the effectiveness of NRFSE.</p><p><strong>Availability and implementation: </strong>Source code and datasets are available at https://github.com/linwang1982/NRFSE or https://codeocean.com/capsule/4741497/tree/v1.</p>\",\"PeriodicalId\":8903,\"journal\":{\"name\":\"Bioinformatics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.4000,\"publicationDate\":\"2023-09-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10491955/pdf/\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Bioinformatics\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://doi.org/10.1093/bioinformatics/btad532\",\"RegionNum\":3,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Bioinformatics","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1093/bioinformatics/btad532","RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
A neighborhood-regularization method leveraging multiview data for predicting the frequency of drug-side effects.
Motivation: A critical issue in drug benefit-risk assessment is to determine the frequency of side effects, which is performed by randomized controlled trails. Computationally predicted frequencies of drug side effects can be used to effectively guide the randomized controlled trails. However, it is more challenging to predict drug side effect frequencies, and thus only a few studies cope with this problem.
Results: In this work, we propose a neighborhood-regularization method (NRFSE) that leverages multiview data on drugs and side effects to predict the frequency of side effects. First, we adopt a class-weighted non-negative matrix factorization to decompose the drug-side effect frequency matrix, in which Gaussian likelihood is used to model unknown drug-side effect pairs. Second, we design a multiview neighborhood regularization to integrate three drug attributes and two side effect attributes, respectively, which makes most similar drugs and most similar side effects have similar latent signatures. The regularization can adaptively determine the weights of different attributes. We conduct extensive experiments on one benchmark dataset, and NRFSE improves the prediction performance compared with five state-of-the-art approaches. Independent test set of post-marketing side effects further validate the effectiveness of NRFSE.
Availability and implementation: Source code and datasets are available at https://github.com/linwang1982/NRFSE or https://codeocean.com/capsule/4741497/tree/v1.
期刊介绍:
The leading journal in its field, Bioinformatics publishes the highest quality scientific papers and review articles of interest to academic and industrial researchers. Its main focus is on new developments in genome bioinformatics and computational biology. Two distinct sections within the journal - Discovery Notes and Application Notes- focus on shorter papers; the former reporting biologically interesting discoveries using computational methods, the latter exploring the applications used for experiments.