Comprehensive data on a 2D-QSAR model for Heme Oxygenase isoform 1 inhibitors

@article{Amata2017ComprehensiveDO,
  title={Comprehensive data on a 2D-QSAR model for Heme Oxygenase isoform 1 inhibitors},
  author={E. Amata and A. Marrazzo and Maria Dichiara and M. Modica and L. Salerno and O. Prezzavento and G. Nastasi and A. Rescifina and G. Romeo and V. Pittal{\`a}},
  journal={Data in Brief},
  year={2017},
  volume={15},
  pages={281 - 299}
}
The data have been obtained from the Heme Oxygenase Database (HemeOxDB) and refined according to the 2D-QSAR requirements. These data provide information about a set of more than 380 Heme Oxygenase-1 (HO-1) inhibitors. The development of the 2D-QSAR model has been undertaken with the use of CORAL software using SMILES, molecular graphs and hybrid descriptors (SMILES and graph together). The 2D-QSAR model regressions for HO-1 half maximal inhibitory concentration (IC50) expressed as pIC50 (pIC50… Expand
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