The inevitable QSAR renaissance

QSAR approaches, including recent advances in 3D-QSAR, are advantageous during the lead optimization phase of drug discovery and complementary with bioinformatics and growing data accessibility. Hints for future QSAR practitioners are also offered

Similarity Methods in Chemoinformatics

promoting access to White Rose research paper

5-HT1A receptors mapping by conformational analysis (2D NOESY/MM) and "threewaymodelling" (HASL, CoMFA, PARM)

The precise function of the 5-HT receptors remains undefined, and progress toward this has been hampered by the lack of selective ligands. Direct interactions with the 5-HT1A receptor via selective ligands may have beneficial effects in a large no. of diseases including a no. of neuropsychiatric disorders. The findings regarding the conformational analyses for a small set of [[(arylpiperazinyl)alkyl]thio]thieno[2,3-d]pyrimidinone derivs. as high-affinity, selective 5-HT1A receptors are reported