Sigma-2 receptor ligands QSAR model dataset
Antonio Rescifina, Giuseppe Floresta, Agostino Marrazzo and 5 more
Data in Brief · 2017
doi:10.1016/j.dib.2017.06.022 (opens in a new tab)
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Abstract
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. The QSAR model was also employed to predict the σ2 receptor pKi values of the FDA approved drugs that are herewith included.
Abstract licence: CC BY-NC
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