Study of stereoelectronic properties of heterocycles in order to classify them based on their similarity/dissimilarity

Project: Research

Project Details

Description

Creation of a similarity data base between molecules,by studying stereoelectronic properties (such as electrostatic and lipophilic potentials, topology of frontiers orbitals, volume...) of a variety of heterocycles.
StatusFinished
Effective start/end date1/09/971/05/99

Keywords

  • data base
  • molecular modelling
  • heterocycles
  • similarity
  • QSAR
  • X-ray diffraction
  • drug design
  • superimposition