A New Pharmacophore Model for the Design of Sigma-1 Ligands Validated on a Large Experimental Dataset

• मुख्य लेखकों: Rosalia Pascual (लेखक), Carmen Almansa (लेखक), Carlos Plata-Salamán (लेखक), José Miguel Vela (लेखक)
• स्वरूप: पुस्तक
• प्रकाशित: Frontiers Media S.A., 2019-05-01T00:00:00Z.
• विषय: article
• ऑनलाइन पहुंच: Connect to this object online.

The recent publication of the σ1R crystal structure is an important cornerstone for the derivation of more accurate activity prediction models. We report here a comparative study involving a set of more than 25,000 structures from our internal database that had been screened for σ1R affinity. Using...