Characteristics studies of molecular structures in drugs

In theoretical medicine, topological indices are defined to test the medicine and pharmacy characteristics, such as melting point, boiling point, toxicity and other biological activities. As basic molecular structures, hexagonal jagged-rectangle and distance-regular structure are widely appeared in...

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Detalles Bibliográficos
Autores principales: Gao, Wei, Wang, Yiqiao, Basavanagoud, B., Jamil, Muhammad Kamran
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2017
Materias:
Original Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5447454/
https://www.ncbi.nlm.nih.gov/pubmed/28579895
http://dx.doi.org/10.1016/j.jsps.2017.04.027
Descripción
Sumario:In theoretical medicine, topological indices are defined to test the medicine and pharmacy characteristics, such as melting point, boiling point, toxicity and other biological activities. As basic molecular structures, hexagonal jagged-rectangle and distance-regular structure are widely appeared in medicine, pharmacy and biology engineering. In this paper, we study the chemical properties of hexagonal jagged-rectangle from the mathematical point of view. Several vertex distance-based indices are determined. Furthermore, the Wiener related indices of distance-regular structure are also considered.

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