Md. Sohrawordi , Md. Ali Hossain , Md. Al Mehedi Hasan
{"title":"一种有效的基于统计矩的特征提取技术,从蛋白质序列中识别磷酸甘油化位点","authors":"Md. Sohrawordi , Md. Ali Hossain , Md. Al Mehedi Hasan","doi":"10.1016/j.jmgm.2025.109108","DOIUrl":null,"url":null,"abstract":"<div><div>A kind of covalent modification known as post-translational modification (PTM) happens following the biosynthesis process, which is important in cell biology research. A reversible PTM called Lysine phosphoglycerylation alters glycolytic enzyme activity and is linked to several disorders, including heart failure, arthritis, and nervous system deterioration. Identification of phosphoglycerylation has been improved using a variety of feature extraction approaches with machine learning technologies. However, it may still be improved by developing new and more powerful feature extraction algorithms and classification approaches. In this study, an efficient feature extraction technique named statistical moment of physicochemical properties (SMPP) is suggested using the statistical moment procedure and physicochemical characteristics of amino acids for generating numerical features from proteins. Next, a computational model is created with a support vector machine (SVM) to measure the predictive capability of SMPP in the identification of phosphoglycerylation sites. An overall average accuracy of 98.26 % on 10-fold cross-validation and 99.40 % on the independent test is acquired by SMPP features, which is better than that of the experimental results of currently available feature extraction techniques used for identifying the phosphoglycerylation sites. The web server, dataset, and source code for this research are openly obtainable at <span><span>https://shaikot.pythonanywhere.com/smfeature/</span><svg><path></path></svg></span>.</div></div>","PeriodicalId":16361,"journal":{"name":"Journal of molecular graphics & modelling","volume":"140 ","pages":"Article 109108"},"PeriodicalIF":3.0000,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An effective statistical moment-based feature extraction technique to identify the phosphoglycerylation sites from protein sequences\",\"authors\":\"Md. Sohrawordi , Md. Ali Hossain , Md. Al Mehedi Hasan\",\"doi\":\"10.1016/j.jmgm.2025.109108\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>A kind of covalent modification known as post-translational modification (PTM) happens following the biosynthesis process, which is important in cell biology research. A reversible PTM called Lysine phosphoglycerylation alters glycolytic enzyme activity and is linked to several disorders, including heart failure, arthritis, and nervous system deterioration. Identification of phosphoglycerylation has been improved using a variety of feature extraction approaches with machine learning technologies. However, it may still be improved by developing new and more powerful feature extraction algorithms and classification approaches. In this study, an efficient feature extraction technique named statistical moment of physicochemical properties (SMPP) is suggested using the statistical moment procedure and physicochemical characteristics of amino acids for generating numerical features from proteins. Next, a computational model is created with a support vector machine (SVM) to measure the predictive capability of SMPP in the identification of phosphoglycerylation sites. An overall average accuracy of 98.26 % on 10-fold cross-validation and 99.40 % on the independent test is acquired by SMPP features, which is better than that of the experimental results of currently available feature extraction techniques used for identifying the phosphoglycerylation sites. The web server, dataset, and source code for this research are openly obtainable at <span><span>https://shaikot.pythonanywhere.com/smfeature/</span><svg><path></path></svg></span>.</div></div>\",\"PeriodicalId\":16361,\"journal\":{\"name\":\"Journal of molecular graphics & modelling\",\"volume\":\"140 \",\"pages\":\"Article 109108\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2025-06-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of molecular graphics & modelling\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1093326325001688\",\"RegionNum\":4,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of molecular graphics & modelling","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1093326325001688","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
An effective statistical moment-based feature extraction technique to identify the phosphoglycerylation sites from protein sequences
A kind of covalent modification known as post-translational modification (PTM) happens following the biosynthesis process, which is important in cell biology research. A reversible PTM called Lysine phosphoglycerylation alters glycolytic enzyme activity and is linked to several disorders, including heart failure, arthritis, and nervous system deterioration. Identification of phosphoglycerylation has been improved using a variety of feature extraction approaches with machine learning technologies. However, it may still be improved by developing new and more powerful feature extraction algorithms and classification approaches. In this study, an efficient feature extraction technique named statistical moment of physicochemical properties (SMPP) is suggested using the statistical moment procedure and physicochemical characteristics of amino acids for generating numerical features from proteins. Next, a computational model is created with a support vector machine (SVM) to measure the predictive capability of SMPP in the identification of phosphoglycerylation sites. An overall average accuracy of 98.26 % on 10-fold cross-validation and 99.40 % on the independent test is acquired by SMPP features, which is better than that of the experimental results of currently available feature extraction techniques used for identifying the phosphoglycerylation sites. The web server, dataset, and source code for this research are openly obtainable at https://shaikot.pythonanywhere.com/smfeature/.
期刊介绍:
The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.
As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.