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Characteristics studies of molecular structures in drugs
Wei Gao1, Yiqiao Wang2, B Basavanagoud3
1School of Information Science and Technology, Yunnan Normal University, Kunming 650500, China.
Abstract:
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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