Comparison of 3D molecular properties surfaces of ligands of biopharmacological interest by the Kohonen self-organizing maps technique

Project: PHD

Description

The Kohonen self-organizing maps technique is used to project non-linearly tridimensional molecular properties such as the electrostatic potential and the hydrophobicity of various ligands into a bidimensional space conserving the topology of the information. The aim of this work is to compare simultaneously the ligands in order to determine the required elements for their high activity and selectivity.
StatusFinished
Effective start/end date1/11/9731/12/02

Keywords

  • thromboxane A2 receptors
  • molecular electrostatic potential
  • 5-HT1D receptors
  • Kohonen mapping
  • artificial neural networks
  • hydrophobicity