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Forgotten topological index of chemical structure in drugs

A massive of early drug tests implies that there exist strong inner relationships between the bio-medical and pharmacology characteristics of drugs and their molecular structures. The forgotten topological index was defined to be used in the analysis of drug molecular structures, which is quite help...

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Detalles Bibliográficos
Autores principales: Gao, Wei, Siddiqui, Muhammad Kamran, Imran, Muhammad, Jamil, Muhammad Kamran, Farahani, Mohammad Reza
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4881174/
https://www.ncbi.nlm.nih.gov/pubmed/27275112
http://dx.doi.org/10.1016/j.jsps.2016.04.012
Descripción
Sumario:A massive of early drug tests implies that there exist strong inner relationships between the bio-medical and pharmacology characteristics of drugs and their molecular structures. The forgotten topological index was defined to be used in the analysis of drug molecular structures, which is quite helpful for pharmaceutical and medical scientists to grasp the biological and chemical characteristics of new drugs. Such tricks are popularly employed in developing countries where enough money is lacked to afford the relevant chemical reagents and equipment. In our article, by means of drug molecular structure analysis and edge dividing technology, we present the forgotten topological index of several widely used chemical structures which often appear in drug molecular graphs.