Prediction and interpretation of the lipophilicity of small peptides

@article{Visconti2015PredictionAI,
  title={Prediction and interpretation of the lipophilicity of small peptides},
  author={Alessia Visconti and Giuseppe Ermondi and Giulia Caron and Roberto Esposito},
  journal={Journal of Computer-Aided Molecular Design},
  year={2015},
  volume={29},
  pages={361-370},
  url={https://api.semanticscholar.org/CorpusID:207166122}
}
Results prove that a PLS model based on VolSurf+ descriptors is the best tool to predictlogDoct of neutral and ionised peptides and the mechanistic interpretation reveals that the inclusion in the chemical structure of a HBD group is more efficient in decreasing lipophilicity than the inclusion of aHBA group.
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