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.
|Effective start/end date||1/11/97 → 31/12/02|
- thromboxane A2 receptors
- molecular electrostatic potential
- 5-HT1D receptors
- Kohonen mapping
- artificial neural networks