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基于最佳运输的图核用于药物财产预测

Mohammed Aburidi1, Roummel Marcia1

  • 1Department of Applied MathematicsUniversity of California Merced Merced CA 95348 USA.

IEEE open journal of engineering in medicine and biology
|February 5, 2025
PubMed
概括

本研究介绍了基于最佳运输 (OT) 的图核,用于预测药物吸收,分布,新陈代谢,分泌和毒性 (ADMET) 特性. 这些新的方法优于当前的图形深度学习模型,在药物开发中提供了更好的准确性和可解释性.

关键词:
在ADMET中,ADMET的属性是:最佳的运输类型图形内核 图形内核是指图形的核心.图表匹配对应的图表沃斯斯坦距离的距离

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