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Arxiv

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LengthLogD: A Length-Stratified Ensemble Framework for Enhanced Peptide Lipophilicity Prediction via Multi-Scale Feature Integration

  • Peptide compounds have therapeutic potential but face challenges in drug development due to low membrane permeability.
  • A new predictive framework called LengthLogD integrates multi-scale molecular representations for accurate peptide logD prediction.
  • The framework uses length stratification and ensemble learning to enhance model generalizability, showing superior performance for short, medium, and long peptides.
  • Compared to existing models, LengthLogD significantly reduces prediction errors for long peptides and improves the coefficient of determination for peptide lipophilicity prediction.

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