Protein-ligand interaction prediction: an improved chemogenomics approach

@article{Jacob2008ProteinligandIP,
  title={Protein-ligand interaction prediction: an improved chemogenomics approach},
  author={Laurent Jacob and Jean-Philippe Vert},
  journal={Bioinformatics},
  year={2008},
  volume={24},
  pages={2149 - 2156}
}
MOTIVATION Predicting interactions between small molecules and proteins is a crucial step to decipher many biological processes, and plays a critical role in drug discovery. When no detailed 3D structure of the protein target is available, ligand-based virtual screening allows the construction of predictive models by learning to discriminate known ligands from non-ligands. However, the accuracy of ligand-based models quickly degrades when the number of known ligands decreases, and in particular… CONTINUE READING
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