Sigma-2 receptor ligands QSAR model dataset

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 (σ(2)) receptor ligands selective over Sigma-1 (σ(1)) receptor. The development of the QSAR model has b...

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Detalles Bibliográficos
Autores principales: Rescifina, Antonio, Floresta, Giuseppe, Marrazzo, Agostino, Parenti, Carmela, Prezzavento, Orazio, Nastasi, Giovanni, Dichiara, Maria, Amata, Emanuele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2017
Materias:
Data Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5491401/
https://www.ncbi.nlm.nih.gov/pubmed/28702490
http://dx.doi.org/10.1016/j.dib.2017.06.022
Descripción
Sumario: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 (σ(2)) receptor ligands selective over Sigma-1 (σ(1)) 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 σ(2) receptor pK(i) QSAR models. The QSAR model was also employed to predict the σ(2) receptor pK(i) values of the FDA approved drugs that are herewith included.

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