In the field of pharmaceutical research, identifying promising pharmaceutical compounds is a critical challenge. The observance of Lipinski's Rule of Five (RO5) is a fundamental criterion, but evaluating many compounds manually requires significant resources and time. However, the integration of computational techniques in drug discovery in its early stages has significantly transformed the pharmaceutical industry, enabling further efficient screening and selection of possible drug candidates. Therefore, this study explores RO5 using algorithms of Machine Learning (ML), offering a comprehensive method to predict the druggability of pharmaceutical compounds. The study developed, evaluated, and validated the performance metrics of multiple supervised machine learning models. The best model was used to build an application that can predict and classify potential drug candidates. The findings revealed promising capabilities across all models for drug classification. Among all the explored models, Random Forest (RF), Extreme Gradient Boost (XGBoost), and Decision Tree (DT) classifiers demonstrated exceptional performance, achieving near-perfect accuracy of 99.94%, 99.81% and 99.87% respectively. This highlights the robustness of ensemble learning methods in classifying compounds based on RO5 adherence. The comparative analysis of these models underscores the importance of considering balanced accuracy, precision, F1-score, recall, and Receiver Operating Characteristics-Area Under the Curve (ROC-AUC) score, interpretability, and computational efficiency when choosing between ML algorithms in drug discovery. The DrugCheckMaster application was subsequently developed using the most predictive model and is now available on Render (https://capstone-project-dc7w.onrender.com/).

The global significance of SMEs has traditionally been recognized as a key driver of economic growth and sustainability. The emergence of digital technologies and Information and Communication Technology for Development (ICT4D) holds significant potential to further enhance this impact. However, SMEs in developing countries have faced challenges in adopting sustainable, resource-intensive digital systems. Factors such as limited skills, financial constraints, and the alignment of suitable solutions hinder this adoption. To address these challenges and promote sustainable digital transformation, this study proposes a two-tier approach. The first prong employs Natural Language Processing (NLP) techniques, including Word2Vec, for global analysis and digital systems identification. The second prong involves a country-specific analysis of SMEs’ digital requirements. This two-tier analysis aims to uncover the actual digital needs of SMEs while shedding light on high-intensity global SME activities that, if integrated through ICT4D, could effectively address the risks and challenges SMEs face in adopting, implementing, and maintaining digital systems. In addition, the study develops systems required by SMEs to optimize their business processes and production, thereby promoting their growth and sustainability in the digital era. The results of this study demonstrate the effectiveness of these proposed methods in addressing digital challenges for SMEs and fostering sustainable development.

The study aims to investigate the integration of Small and Medium-sized Enterprises (SMEs) into global value chains (GVCs) with Industry 4.0 enablement. This integration is essential, yet research on the comprehensive application of Industry 4.0 digital technologies for this purpose is limited. This study addresses the established gap through a systematic literature review (SLR) using the PRISMA methodology to analyze the impact of Industry 4.0 technologies on SME integration into global value chains. Utilizing VOSviewer for bibliometric analysis, the research identifies key themes such as innovation, digital transformation, and smart manufacturing, alongside critical technologies like the Internet of Things, big data analytics, and artificial intelligence. The SLR analyzed 955 relevant articles published between 2015 and 2023. The findings reveal a significant lack of comprehensive literature on the integration of SMEs into global value chains, particularly regarding the exploration of technologies such as blockchain, robotics, and cybersecurity, in both academic and industrial settings. There is therefore a need for industry players, academia, and policymakers to establish more targeted strategies for SMEs and global value chain integration in the context of Industry 4.0.