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DDintensity: Addressing imbalanced drug-drug interaction risk levels using pre-trained deep learning model embeddings

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Abstract

Imbalanced datasets have been a persistent challenge in bioinformatics, particularly in the context of drug-drug interaction (DDI) risk level datasets. Such imbalance can lead to biased models that perform poorly on underrepresented classes. To address this issue, one strategy is to construct a balanced dataset, while another involves employing more advanced features and models. In this study, we introduce a novel approach called DDintensity, which leverages pre-trained deep learning models as embedding generators combined with LSTM-attention models to address the imbalance in DDI risk level datasets. We tested embeddings from various domains, including images, graphs, and textual corpus. Among these, embeddings generated by BioGPT achieved the highest performance, with an Area Under the Curve (AUC) of 0.97 and an Area Under the Precision-Recall curve (AUPR) of 0.92. Our model was trained on the DDinter and further validated using the MecDDI dataset. Additionally, case studies on chemotherapeutic drugs, DB00398 (Sorafenib) and DB01204 (Mitoxantrone) used in oncology, were conducted to demonstrate the specificity and effectiveness of the this methods. Our approach demonstrates high scalability across DDI modalities, as well as the discovery of novel interactions. In summary, we introduce DDIntensity as a solution for imbalanced datasets in bioinformatics with pre-trained deep-learning embeddings. © 2025 Published by Elsevier B.V.
Original languageEnglish
Article number103202
JournalArtificial Intelligence in Medicine
Volume168
Online published1 Jul 2025
DOIs
Publication statusPublished - Oct 2025

Funding

This research was substantially sponsored by the research project (Grant No. 32170654) supported by the National Natural Science Foundation of China and was substantially supported by the Shenzhen Research Institute, City University of Hong Kong. The work described in this paper was substantially supported by the grant from the Research Grants Council of the Hong Kong Special Administrative Region [CityU 11203723]. The work described in this paper was partially supported by the grants from City University of Hong Kong (2021SIRG036, CityU 9667265, CityU 11203221) and Innovation and Technology Commission (ITB/FBL/9037/22/S).

Research Keywords

  • Imbalanced datasets
  • Deep learning
  • Embeddings
  • Drug-drug interaction predictions

RGC Funding Information

  • RGC-funded

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