{"title":"Machine-learning models utilizing <i>CYP3A4*1G</i> show improved prediction of hypoglycemic medication in Type 2 diabetes.","authors":"Yi Yang, Xing-Yun Hou, Weiqing Ge, Xinye Wang, Yitian Xu, Wansheng Chen, Yaping Tian, Huafang Gao, Qian Chen","doi":"10.2217/pme-2022-0059","DOIUrl":null,"url":null,"abstract":"<p><p>The effectiveness and side effects of Type 2 diabetes (T2D) medication are related to individual genetic background. SNPs <i>CYP3A4</i> and <i>CYP2C19</i> were introduced to machine-learning models to improve the performance of T2D medication prediction. Two multilabel classification models, ML-KNN and WRank-SVM, trained with clinical data and <i>CYP3A4</i>/<i>CYP2C19</i> SNPs were evaluated. Prediction performance was evaluated with Hamming loss, one-error, coverage, ranking loss and average precision. The average precision of ML-KNN and WRank-SVM using clinical data was 92.74% and 92.9%, respectively. Combined with <i>CYP2C19*2*3</i>, the average precision dropped to 88.84% and 89.93%, respectively. While combined with <i>CYP3A4*1G</i>, the average precision was enhanced to 97.96% and 97.82%, respectively. Results suggest that <i>CYP3A4*1G</i> can improve the performance of ML-KNN and WRank-SVM models in predicting T2D medication performance.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":"20 1","pages":"27-37"},"PeriodicalIF":16.4000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2217/pme-2022-0059","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 1
Abstract
The effectiveness and side effects of Type 2 diabetes (T2D) medication are related to individual genetic background. SNPs CYP3A4 and CYP2C19 were introduced to machine-learning models to improve the performance of T2D medication prediction. Two multilabel classification models, ML-KNN and WRank-SVM, trained with clinical data and CYP3A4/CYP2C19 SNPs were evaluated. Prediction performance was evaluated with Hamming loss, one-error, coverage, ranking loss and average precision. The average precision of ML-KNN and WRank-SVM using clinical data was 92.74% and 92.9%, respectively. Combined with CYP2C19*2*3, the average precision dropped to 88.84% and 89.93%, respectively. While combined with CYP3A4*1G, the average precision was enhanced to 97.96% and 97.82%, respectively. Results suggest that CYP3A4*1G can improve the performance of ML-KNN and WRank-SVM models in predicting T2D medication performance.
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.