9(4)09

Nauka innov. 2013, 9(4):73-78
https://doi.org/10.15407/scin9.04.073

I.S. Chekman1, T.Yu. Nebesna1, O.O. Kazakova2, A.O. Vysotskiy1
1 A. A. Bohomoltsia National Medical University, Kyiv
2 A.A. Chuiko Institute of Surface Chemistry NAS of Ukraine, Kyiv

 

Molecular Topology: New Approach in Pharmacology

Section: The World of Innovations
Language: Ukrainian
Abstract: The origin and application of molecular topology — a new method in drug design is described. Its scope is the topological characterization of molecules by means of numerical invariants, called topological indices. Their numerical format facilitates the automatic search of other molecules with similar structural, physicochemical, biological and pharmacological properties
Key words: molecular topology, pharmacology, graph theory, molecular descriptors, QSAR.

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