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Updated: Jan 28, 2026

Rapid in vivo Drug Response Prediction Using Leukemia Cell Grafts in Zebrafish Embryos
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Rapid in vivo Drug Response Prediction Using Leukemia Cell Grafts in Zebrafish Embryos

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双PG-DTA:一个大型语言模型驱动的图形神经网络框架,用于增强药物向 afinity 预测和发现新型 CDK9 抑制剂,在 vivo 中表现出抗白血病活性

Yihao Chen1, Jindi Huang1, Cong Liu2,3

  • 1Joint International Research Laboratory of Synthetic Biology and Medicine, Ministry of Education, Guangdong Provincial Key Laboratory of Fermentation and Enzyme Engineering, Guangdong Provincial Engineering and Technology Research Center of Biopharmaceuticals, School of Biology and Biological Engineering, South China University of Technology, Guangzhou, 510006, China.

Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|January 27, 2026
PubMed
概括

一个新的框架,DualPG-DTA,使用双语言模型和图形神经网络准确预测药物向相互作用. 它将C1化合物确定为一种强有力的CDK9抑制剂,用于治疗抗Venetoclax的急性髓性白血病.

关键词:
在CDK9中,CDK9是指CDK9.药物标结合 afinity 的预测.图形神经网络的神经网络抑制剂抑制剂的作用在培训前的训练.虚拟选是虚拟的选.

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