International Journal of Advances in Applied Computational Intelligence IJAACI 2833-5600 10.54216/IJAACI https://www.americaspg.com/journals/show/2971 2022 2022 Decision support department, Faculty of Computers and Informatics, Zagazig University, Zagazig 44519, Sharqiyah, Egypt Mahmoud Mahmoud Decision support department, Faculty of Computers and Informatics, Zagazig University, Zagazig 44519, Sharqiyah, Egypt. Mahmoud M. Ibrahim Decision support department, Faculty of Computers and Informatics, Zagazig University, Zagazig 44519, Sharqiyah, Egypt. Shereen Zaki The cornerstone of crucial biochemical processes is enzymes, and this requires a need for precise detection methods to understand it all together and be able to intervene. This paper provides an innovative framework that addresses the problem of multi-label detection of enzyme-substrate interactions based on multi-label fusion. To overcome the limitations of traditional single-label detection approaches, our methodology combines several different data types and gradient boosting classifiers with CatBoost and AdaBoost classifiers as an ensemble. Our aim is to overcome the limitations of traditional single-label detection methods by integrating several data modalities and using a combination of Gradient Boosting, AdaBoost, and CatBoost classifiers. By means of comprehensive molecular descriptor analysis, clustering results, and model performance metrics visualization we demonstrate the intricate landscape of enzyme-substrate interactions in our research. Visualization techniques provide insights into the important molecular characteristics that influence the classes of enzymes while cluster analysis reveals inherent groupings within the dataset. The approach also employs confusion matrices to illustrate how well the model has been classified which supports the success of this framework. This method pushes forward multi-label information fusion as well as grounds for untangling biochemical complexities promising transformative applications across various scientific fields. 2024 2024 08 14 10.54216/IJAACI.050101 https://www.americaspg.com/articleinfo/31/show/2971