Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives’ anti-HIV action

@article{Putz2013VariationalPF,
  title={Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives’ anti-HIV action},
  author={Mihai V. Putz and Nicoleta A. Dudaş},
  journal={Structural Chemistry},
  year={2013},
  volume={24},
  pages={1873-1893}
}
Mechanistic quantitative structure–activity relationships (QSAR) variational principles relating data screening and data analysis are mainly introduced as: the longest simplified molecular-input line-entry system—SMILES’ molecular chain (LoSMoC) to achieve for the maximum 1D-to-2D information of molecular input in chemical interaction with a receptor site; and, respectively, the shortest paths in between the endpoints of chemical–biological interaction, as an Euclidian metrics in modeling… CONTINUE READING

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