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Updated: May 12, 2025

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通过python驱动的QSPR方法,使用基于扩展能量的拓指数预测结核病药物特性

Kiran Naz1, Hafiz Muhammad Bilal2, Muhammad Kamran Siddiqui1

  • 1Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Islamabad, Pakistan.

Scientific reports
|May 5, 2025
PubMed
概括

这项研究使用Python和拓索引来预测抗结核药物的物理化学性质. 二次回归模型证明了药物设计和优化的最佳可预测性.

关键词:
邻近矩阵是一个邻近矩阵.扩展的能量扩展的能量.和指数是指一个和指数.兰迪克指数 兰迪克指数索博尔指数的指数萨格勒布指数 萨格勒布指数

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