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Image Credit: Arxiv

Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints

  • Accurately predicting drug-drug interactions (DDIs) is crucial for pharmaceutical research and clinical safety.
  • This study proposes a simpler approach using molecular representations like Morgan fingerprints, graph-based embeddings, and transformer-derived embeddings.
  • The combination of these representations achieves competitive performance in DDI prediction tasks.
  • The study highlights the importance of dataset curation and progressive complexity scaling in drug interaction prediction models.

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