Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues.

@article{GonzlezDaz2010PredictingDA,
  title={Predicting drugs and proteins in parasite infections with topological indices of complex networks: theoretical backgrounds, applications, and legal issues.},
  author={Humberto Gonz{\'a}lez-D{\'i}az and Fernanda Romar{\'i}s and Aliuska Duardo-S{\'a}nchez and L. G. P{\'e}rez-Montoto and Francisco J. Prado-Prado and Grace Patlewicz and Florencio M. Ubeira},
  journal={Current pharmaceutical design},
  year={2010},
  volume={16 24},
  pages={
          2737-64
        }
}
Quantitative Structure-Activity Relationship (QSAR) models have been used in Pharmaceutical design and Medicinal Chemistry for the discovery of anti-parasite drugs. QSAR models predict biological activity using as input different types of structural parameters of molecules. Topological Indices (TIs) are a very interesting class of these parameters. We can derive TIs from graph representations based on only nodes (atoms) and edges (chemical bonds). TIs are not time-consuming in terms of… CONTINUE READING

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