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Updated: May 8, 2025

High-Throughput Cardiotoxicity Screening Using Mature Human Induced Pluripotent Stem Cell-Derived Cardiomyocyte Monolayers
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AttenhERG:一个可靠和可解释的图形神经网络框架,用于预测hERG通道阻断器

Tianbiao Yang1, Xiaoyu Ding1, Elizabeth McMichael2

  • 1Insilico Medicine Shanghai Ltd, Suite 901, Tower C, Changtai Plaza, 2889 Jinke Road, Pudong New District, Shanghai, 201203, China.

Journal of cheminformatics
|December 24, 2024
PubMed
概括

预测人类以太-a-go-go相关基因 (hERG) 毒性对于药物开发至关重要. 一个新的图形神经网络AttenhERG能够准确地识别hERG通道阻断剂,从而改善药物安全性评估.

关键词:
注意力机制注意力机制心脏毒性 有关心脏的毒性.图表神经网络的神经网络赫尔格的预测预测

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