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.
| Status | Finished |
|---|---|
| Effective start/end date | 1/09/97 → 1/05/99 |
Keywords
- data base
- molecular modelling
- heterocycles
- similarity
- QSAR
- X-ray diffraction
- drug design
- superimposition
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