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基于度和邻域度的拓扑描述符对白癜风治疗药物的预测分析。

Predictive analysis of vitiligo treatment drugs using degree and neighborhood degree-based topological descriptors.

作者信息

Zhang Xiujun, Balasubramaniyan Deepa, Chidambaram Natarajan, Ravi Vignesh

机构信息

School of Artificial Intelligence, Chengdu Polytechnic, Chengdu, Sichuan, 610041, China.

School of Computer Science , Chengdu University, Chengdu, Sichuan, 610106, China.

出版信息

Sci Rep. 2025 Feb 12;15(1):5218. doi: 10.1038/s41598-025-89603-y.

Abstract

Vitiligo is a chronic autoimmune condition that leads to the loss of skin pigmentation in certain areas due to the destruction of melanocytes, which produce pigment. A topological index is a numerical value obtained from the structure of a chemical graph and is useful for studying the theoretical characteristics of organic molecules. It can also help determine the physico-chemical and biological aspects of various drugs. This article uses novel neighborhood degree-based topological indices to study vitiligo drugs and demonstrates a strong correlation with physico-chemical properties. Additionally, the results are compared with those obtained through degree-based topological indices.

摘要

白癜风是一种慢性自身免疫性疾病,由于产生色素的黑素细胞遭到破坏,导致某些部位的皮肤色素脱失。拓扑指数是从化学图结构中获得的数值,有助于研究有机分子的理论特性。它还可以帮助确定各种药物的物理化学和生物学特性。本文使用基于邻域度的新型拓扑指数来研究白癜风药物,并证明其与物理化学性质有很强的相关性。此外,还将结果与通过基于度的拓扑指数获得的结果进行了比较。

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