Article ID: | iaor201530219 |
Volume: | 273 |
Start Page Number: | 125 |
End Page Number: | 130 |
Publication Date: | Jan 2016 |
Journal: | Applied Mathematics and Computation |
Authors: | Nadeem Muhammad Faisal, Zafar Sohail, Zahid Zohaib |
Keywords: | graphs |
In the study of QSAR/QSPR, topological indices such as Shultz index, generalized Randic index, Zagreb index, general sum‐connectivity index, atom‐bond connectivity (ABC) index and geometric–arithmetic (GA) index are exploited to estimate the bioactivity of chemical compounds. A topological index attaches a chemical structure with a numeric number. There are numerous applications of graph theory in this field of research. In this paper we computed generalized Randic, general Zagreb, general sum‐connectivity,