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Updated: Sep 11, 2025

Inherent Dynamics Visualizer, an Interactive Application for Evaluating and Visualizing Outputs from a Gene Regulatory Network Inference Pipeline
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循环配置描述符:一种新的图形理论方法来增强分子推理

Bowen Song1, Jianshen Zhu2,3, Naveed Ahmed Azam4

  • 1Graduate School of Informatics, Kyoto University, Kyoto, 606-8501, Japan.

Journal of cheminformatics
|August 19, 2025
PubMed
概括

研究人员开发了新的循环配置 (CC) 描述符,以改善分子推断. 这些新的描述器提高了预测分子性质的准确性,从而更好地识别了所需的分子.

关键词:
描述器的设计设计.反向的QSAR/QSPR是什么机器学习 机器学习混合整数线性编程 混合整数线性编程分子推理分子推理.

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