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The first multiplication atom-bond connectivity index of molecular structures in drugs

In the field of medicine, there are a large number of new drugs synthesis every year. Before entering the clinical stage, it needs a lot of work on drug testing of the various properties. Due to the lack of a large number of laboratory technician, laboratory equipment and reagents, the drug testing...

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Detalles Bibliográficos
Autores principales: Gao, Wei, Wang, Yiqiao, Wang, Weifan, Shi, Li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5447459/
https://www.ncbi.nlm.nih.gov/pubmed/28579890
http://dx.doi.org/10.1016/j.jsps.2017.04.021
Descripción
Sumario:In the field of medicine, there are a large number of new drugs synthesis every year. Before entering the clinical stage, it needs a lot of work on drug testing of the various properties. Due to the lack of a large number of laboratory technician, laboratory equipment and reagents, the drug testing of many biochemical properties are not completed. Theoretical medicine provides a theoretical way for medical researchers to obtain the pharmaceutical properties of compounds by calculation tricks. In this paper, the first multiplication atom-bond connectivity index of several common drugs structure are studied, and the accurate expressions are determined. These theoretical conclusions provide practical guiding significance for pharmaceutical engineering.