RLSuccSite: succinylation sites prediction based on reinforcement learning dynamic with balanced reward mechanism and three-peaks enhanced method for physicochemical property scores
{"title":"RLSuccSite: succinylation sites prediction based on reinforcement learning dynamic with balanced reward mechanism and three-peaks enhanced method for physicochemical property scores","authors":"Lun Zhu, Qingchao Zhang, Sen Yang","doi":"10.1186/s13321-025-01034-z","DOIUrl":null,"url":null,"abstract":"Recent progress in computational biology has driven the development of machine learning models for predicting protein post-translational modification sites. However, challenges such as data imbalance and limited sequence-context representation continue to hinder prediction accuracy, particularly for less frequent modifications like succinylation. In this study, we propose RLSuccSite, a reinforcement learning-based framework specifically designed to predict succinylation sites by addressing the class imbalance issue via a dynamic with balanced reward mechanism. To enhance sequence feature representation, this study also introduces Three-Peaks Enhanced Method for Physicochemical Property Scores (TPEM-PPS), a physicochemical property-driven feature extraction method that incorporates position-aware scoring to reflect amino acid contributions more effectively. The code and data of RLSuccSite can be obtained from the website: https://github.com/Zhangqingchao-Ch/RLSuccSite.git . Scientific contribution This study applies reinforcement learning to protein succinylation sites prediction, introducing a dynamic with balanced reward mechanism that effectively addresses dataset imbalance. Additionally, this study proposes a novel Three-Peaks Enhanced Method for Physicochemical Scoring, which captures residue contributions with higher precision than traditional feature extraction techniques. ","PeriodicalId":617,"journal":{"name":"Journal of Cheminformatics","volume":"9 1","pages":""},"PeriodicalIF":5.7000,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Cheminformatics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1186/s13321-025-01034-z","RegionNum":2,"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: 0
Abstract
Recent progress in computational biology has driven the development of machine learning models for predicting protein post-translational modification sites. However, challenges such as data imbalance and limited sequence-context representation continue to hinder prediction accuracy, particularly for less frequent modifications like succinylation. In this study, we propose RLSuccSite, a reinforcement learning-based framework specifically designed to predict succinylation sites by addressing the class imbalance issue via a dynamic with balanced reward mechanism. To enhance sequence feature representation, this study also introduces Three-Peaks Enhanced Method for Physicochemical Property Scores (TPEM-PPS), a physicochemical property-driven feature extraction method that incorporates position-aware scoring to reflect amino acid contributions more effectively. The code and data of RLSuccSite can be obtained from the website: https://github.com/Zhangqingchao-Ch/RLSuccSite.git . Scientific contribution This study applies reinforcement learning to protein succinylation sites prediction, introducing a dynamic with balanced reward mechanism that effectively addresses dataset imbalance. Additionally, this study proposes a novel Three-Peaks Enhanced Method for Physicochemical Scoring, which captures residue contributions with higher precision than traditional feature extraction techniques.
期刊介绍:
Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.
Coverage includes, but is not limited to:
chemical information systems, software and databases, and molecular modelling,
chemical structure representations and their use in structure, substructure, and similarity searching of chemical substance and chemical reaction databases,
computer and molecular graphics, computer-aided molecular design, expert systems, QSAR, and data mining techniques.