癌症药物的基于反向度数的拓扑指数与QSPR分析
Reverse Degree-Based Topological Indices and QSPR Analysis of Cancer Drugs
AI总结：
本文计算了阿扎胞苷、地西他滨和瓜地西他滨三种癌症药物的基于反向度数的拓扑指数，并通过QSPR分析证明这些指数与药物物理性质高度相关，为无需实验预测癌症药物性质提供了理论依据。
摘要：
图G的拓扑指数是描述其拓扑结构的数值量。基于反向度数的拓扑指数在寻找拓扑描述符方面发挥着重要作用。阿扎胞苷、地西他滨和瓜地西他滨是低甲基化药物，用于治疗不适合接受诱导化疗等深度治疗的高危骨髓增生异常综合征、急性髓系白血病和慢性粒单核细胞白血病患者。本文计算了上述三种药物的一些基于反向度数的拓扑指数。此外，讨论了所述拓扑指数的QSPR分析，并表明这些拓扑指数与三种癌症药物的物理性质高度相关。这些发现可能有助于化学家和制药行业人员在无需实验的情况下预测癌症药物的性质。
英文摘要：
A topological index of a graph $G$ is a numerical quantity that describes its topology. Reverse degree-based topological indices play an important role in finding topological descriptors. Azacitidine, Decitabine, and Guadecitabine are hypomethylating agents which are used for the treatment of patients with higher-risk myelodysplastic syndromes, acute myeloid leukemia, and chronic myelomonocytic leukemia which are not suitable for in-depth treatments such as induction chemotherapy. In this article, some reverse degree-based topological indices of the three said drugs are computed. Furthermore, QSPR analysis of the said topological indices is discussed and it is shown that these topological indices are highly correlated with the physical properties of the three cancer drugs. These findings may help chemists and people working in the pharmaceutical industry to predict the properties of cancer drugs without experimenting.
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