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.