QSAR studies on psychotomimetic phenylalkylamines

Bioorg Med Chem. 2004 Feb 15;12(4):825-31. doi: 10.1016/j.bmc.2003.10.027.

Abstract

Quantitative Structure-Activity Relationship (QSAR) studies on a series of psychotomimetic phenylalkylamines have been made using a combination of Minimum Topological Difference (MTD) method and topological methodology. The topological indices used being a pool of distance-based topological indices. The regression analyses have shown that excellent results are obtained in multiparametric model containing MTD parameters, topological indices in that quantum chemical parameters has to be introduced. The predictive power of the proposed model is discussed on the basis of cross-validation parameters.

MeSH terms

  • Aniline Compounds / chemistry*
  • Aniline Compounds / pharmacology*
  • Hallucinogens / chemistry*
  • Hallucinogens / pharmacology*
  • Molecular Structure
  • Quantitative Structure-Activity Relationship*

Substances

  • Aniline Compounds
  • Hallucinogens