Sigma-2 receptor ligands QSAR model dataset

@article{Rescifina2017Sigma2RL,
  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},
  year={2017},
  volume={13},
  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
32 Citations
Comprehensive data on a 2D-QSAR model for Heme Oxygenase isoform 1 inhibitors
  • 26
CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats
  • 10
The Monte Carlo Method as a tool to build up predictive QSPR/QSAR.
  • 2
...
1
2
3
4
...

References

SHOWING 1-10 OF 12 REFERENCES
Development of a Sigma‐2 Receptor affinity filter through a Monte Carlo based QSAR analysis
  • A. Rescifina, Giuseppe Floresta, +5 authors E. Amata
  • Chemistry, Medicine
  • European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
  • 2017
  • 41
S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands
  • 22
CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands.
  • 12
  • Highly Influential
The σ2 receptor: a novel protein for the imaging and treatment of cancer.
  • 91
Imaging of in vivo Sigma-2 Receptor Expression With 18F-ISO-1 Positron Emission Tomography in Metastatic Breast Cancer
  • 2016
The sigma2 receptor: a novel protein for the imaging and treatment of cancer
  • J. Med. Chem
  • 2013
CCOC(¼ O)N1C¼ CN(C)C1 ¼ S 6
  • 1954
C(Cl) ¼ CC(O)(CC)
    ...
    1
    2
    ...