6533b857fe1ef96bd12b38db

RESEARCH PRODUCT

Some Relationships between Molecular Energy-Topology and Symmetry

Jorge GalvezJ.v. De Julián-ortizRamón García-domenech

subject

ChemistryTopological indexTopological distanceInverse problemMolecular topologyTopologySymmetry (physics)Symmetry indexTopology (chemistry)Energy (signal processing)

description

Molecular Topology (M.T.) has demonstrated its efficiency in the prediction of many experimental parameters. The application of the topological indices to the prediction of pharmacological properties, and, above all, to its inverse problem, the drug design, is particularly interesting [1,2]. Several attempts to explain the reasons of such efficiency have been carried out [3,4]. So far, we are not close to a definitive answer.

https://doi.org/10.1007/978-1-4757-3273-3_2