Sigma-2 receptor ligands QSAR model dataset

  title={Sigma-2 receptor ligands QSAR model dataset},
  author={A. Rescifina and Giuseppe Floresta and A. Marrazzo and C. Parenti and O. Prezzavento and G. Nastasi and M. Dichiara and E. Amata},
  journal={Data in Brief},
  pages={514 - 535}
The data have been obtained from the Sigma-2 Receptor Selective Ligands Database (S2RSLDB) and refined according to the QSAR requirements. These data provide information about a set of 548 Sigma-2 (σ2) receptor ligands selective over Sigma-1 (σ1) receptor. The development of the QSAR model has been undertaken with the use of CORAL software using SMILES, molecular graphs and hybrid descriptors (SMILES and graph together). Data here reported include the regression for σ2 receptor pKi QSAR models… Expand
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CCOC(¼ O)N1C¼ CN(C)C1 ¼ S 6
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C(Cl) ¼ CC(O)(CC)