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使用拓指数和回归建模预测黄类物质的物理化学性质

Huili Li1,2, Shamaila Yousaf3, Komal Shahzadi3

  • 1School of Software, Pingdingshan University, Pingdingshan, 467000, China.

Scientific reports
|July 29, 2025
PubMed
概括

这项研究使用拓指数来预测黄类物质的性质,发现二次模型最适合估计摩尔折射率,摩尔体积和蒸发度. 这有助于通过优先考虑生物活性化合物来实现具有成本效益的药物发现.

关键词:
生物系统是生物系统.计算建模计算建模黄类化合物 黄类化合物物理化学特性 物理化学特性拓索引 拓索引 拓索引

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