A Machine Learning Framework for Identifying Bioinformatics Tools and Database Names in Scientific Literature

The absence of a single, comprehensive database or repository cataloging all bioinformatics databases and software creates a significant barrier for researchers aiming to construct computational workflows. These workflows, which often integrate 10–15 specialized tools for tasks such as sequence alignment, variant calling, functional annotation, and data visualization, require researchers to explore diverse scientific literature to identify relevant resources. This process demands substantial expertise to evaluate the suitability of each tool for specific biological analyses, alongside considerable time to understand their applicability, compatibility, and implementation within a cohesive pipeline. The lack of a central, updated source leads to inefficiencies and the risk of using outdated tools, which can affect research quality and reproducibility. Consequently, there is a critical need for an automated, accurate tool to identify bioinformatics databases and software mentions directly from scientific texts, streamlining workflow development and enhancing research productivity. 

The bioNerDS system, a prior effort to address this challenge, uses a rule-based named entity recognition (NER) approach, achieving an F1 score of 63% on an evaluation set of 25 articles from BMC Bioinformatics and PLoS Computational Biology. By integrating the same set of features such as context patterns, word characteristics and dictionary matches into a machine learning model, we developed an approach using an XGBoost classifier. This model, carefully tuned to address the extreme class imbalance inherent in NER tasks through synthetic oversampling and refined via systematic hyperparameter optimization to balance precision and recall, excels at capturing complex linguistic patterns and non-linear relationships, ensuring robust generalization. It achieves an F1 score of 82% on the same evaluation set, significantly surpassing the baseline. By combining rule-based precision with machine learning adaptability, this approach enhances accuracy, reduces ambiguities, and provides a robust tool for large-scale bioinformatics resource identification, facilitating efficient workflow construction. Furthermore, this methodology holds potential for extension to other technological domains, enabling similar resource identification in fields like data science, artificial intelligence, or computational engineering.