Abstract
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.
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Gálvez, J., García-Domenech, R., de Julián-Ortiz, J.V. (2001). Some Relationships between Molecular Energy-Topology and Symmetry. In: Carbó-Dorca, R., Gironés, X., Mezey, P.G. (eds) Fundamentals of Molecular Similarity. Mathematical and Computational Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-3273-3_2
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DOI: https://doi.org/10.1007/978-1-4757-3273-3_2
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