{"title":"Stack-AVP:基于多视角信息的堆叠集合预测器,用于快速准确地发现抗病毒肽。","authors":"Phasit Charoenkwan, Pramote Chumnanpuen, Nalini Schaduangrat, Watshara Shoombuatong","doi":"10.1016/j.jmb.2024.168853","DOIUrl":null,"url":null,"abstract":"<p><p>AVPs, or antiviral peptides, are short chains of amino acids capable of inhibiting viral replication, preventing viral entry, or disrupting viral membranes. They represent a promising area of research for developing new antiviral therapies due to their potential to target a broad spectrum of viruses, incorporating those resistant to traditional antiviral drugs. However, traditional experimental methods for identifying AVPs are often costly and labour-intensive. Thus far, multiple computational methods have been introduced for the in silico identification of AVPs, but these methods still have certain shortcomings. In this study, we propose a novel stacked ensemble learning framework, termed Stack-AVP, for fast and accurate AVP identification. In Stack-AVP, we investigated heterogeneous prediction models, which were trained with 12 commonly used machine learning algorithms coupled with a wide range of multiple feature encoding schemes. Subsequently, these prediction models were adopted to generate multi-view features providing class information and probability information. Finally, we applied our feature selection method to determine the best feature subset for the construction of the final stacked model. Comparative assessments on the independent test dataset revealed that Stack-AVP surpassed the performance of current state-of-the-art methods, with an accuracy of 0.930, MCC of 0.860, and AUC of 0.975. Furthermore, it was found that our multi-view features exhibited a crucial mechanism to improve the prediction performance of AVPs. To facilitate experimental scientists in performing high-throughput identification of AVPs, the prediction sever Stack-AVP is publicly accessible at https://pmlabqsar.pythonanywhere.com/Stack-AVP.</p>","PeriodicalId":369,"journal":{"name":"Journal of Molecular Biology","volume":" ","pages":"168853"},"PeriodicalIF":4.7000,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Stack-AVP: A Stacked Ensemble Predictor Based on Multi-view Information for Fast and Accurate Discovery of Antiviral Peptides.\",\"authors\":\"Phasit Charoenkwan, Pramote Chumnanpuen, Nalini Schaduangrat, Watshara Shoombuatong\",\"doi\":\"10.1016/j.jmb.2024.168853\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>AVPs, or antiviral peptides, are short chains of amino acids capable of inhibiting viral replication, preventing viral entry, or disrupting viral membranes. They represent a promising area of research for developing new antiviral therapies due to their potential to target a broad spectrum of viruses, incorporating those resistant to traditional antiviral drugs. However, traditional experimental methods for identifying AVPs are often costly and labour-intensive. Thus far, multiple computational methods have been introduced for the in silico identification of AVPs, but these methods still have certain shortcomings. In this study, we propose a novel stacked ensemble learning framework, termed Stack-AVP, for fast and accurate AVP identification. In Stack-AVP, we investigated heterogeneous prediction models, which were trained with 12 commonly used machine learning algorithms coupled with a wide range of multiple feature encoding schemes. Subsequently, these prediction models were adopted to generate multi-view features providing class information and probability information. Finally, we applied our feature selection method to determine the best feature subset for the construction of the final stacked model. Comparative assessments on the independent test dataset revealed that Stack-AVP surpassed the performance of current state-of-the-art methods, with an accuracy of 0.930, MCC of 0.860, and AUC of 0.975. Furthermore, it was found that our multi-view features exhibited a crucial mechanism to improve the prediction performance of AVPs. To facilitate experimental scientists in performing high-throughput identification of AVPs, the prediction sever Stack-AVP is publicly accessible at https://pmlabqsar.pythonanywhere.com/Stack-AVP.</p>\",\"PeriodicalId\":369,\"journal\":{\"name\":\"Journal of Molecular Biology\",\"volume\":\" \",\"pages\":\"168853\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2024-11-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Biology\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://doi.org/10.1016/j.jmb.2024.168853\",\"RegionNum\":2,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Biology","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1016/j.jmb.2024.168853","RegionNum":2,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Stack-AVP: A Stacked Ensemble Predictor Based on Multi-view Information for Fast and Accurate Discovery of Antiviral Peptides.
AVPs, or antiviral peptides, are short chains of amino acids capable of inhibiting viral replication, preventing viral entry, or disrupting viral membranes. They represent a promising area of research for developing new antiviral therapies due to their potential to target a broad spectrum of viruses, incorporating those resistant to traditional antiviral drugs. However, traditional experimental methods for identifying AVPs are often costly and labour-intensive. Thus far, multiple computational methods have been introduced for the in silico identification of AVPs, but these methods still have certain shortcomings. In this study, we propose a novel stacked ensemble learning framework, termed Stack-AVP, for fast and accurate AVP identification. In Stack-AVP, we investigated heterogeneous prediction models, which were trained with 12 commonly used machine learning algorithms coupled with a wide range of multiple feature encoding schemes. Subsequently, these prediction models were adopted to generate multi-view features providing class information and probability information. Finally, we applied our feature selection method to determine the best feature subset for the construction of the final stacked model. Comparative assessments on the independent test dataset revealed that Stack-AVP surpassed the performance of current state-of-the-art methods, with an accuracy of 0.930, MCC of 0.860, and AUC of 0.975. Furthermore, it was found that our multi-view features exhibited a crucial mechanism to improve the prediction performance of AVPs. To facilitate experimental scientists in performing high-throughput identification of AVPs, the prediction sever Stack-AVP is publicly accessible at https://pmlabqsar.pythonanywhere.com/Stack-AVP.
期刊介绍:
Journal of Molecular Biology (JMB) provides high quality, comprehensive and broad coverage in all areas of molecular biology. The journal publishes original scientific research papers that provide mechanistic and functional insights and report a significant advance to the field. The journal encourages the submission of multidisciplinary studies that use complementary experimental and computational approaches to address challenging biological questions.
Research areas include but are not limited to: Biomolecular interactions, signaling networks, systems biology; Cell cycle, cell growth, cell differentiation; Cell death, autophagy; Cell signaling and regulation; Chemical biology; Computational biology, in combination with experimental studies; DNA replication, repair, and recombination; Development, regenerative biology, mechanistic and functional studies of stem cells; Epigenetics, chromatin structure and function; Gene expression; Membrane processes, cell surface proteins and cell-cell interactions; Methodological advances, both experimental and theoretical, including databases; Microbiology, virology, and interactions with the host or environment; Microbiota mechanistic and functional studies; Nuclear organization; Post-translational modifications, proteomics; Processing and function of biologically important macromolecules and complexes; Molecular basis of disease; RNA processing, structure and functions of non-coding RNAs, transcription; Sorting, spatiotemporal organization, trafficking; Structural biology; Synthetic biology; Translation, protein folding, chaperones, protein degradation and quality control.