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ABIET:一种可解释的变压器,用于识别生物活性分子中的功能组.

Tiago O Pereira1, Maryam Abbasi2, Joel P Arrais1

  • 1Centre for Informatics and Systems of the University of Coimbra, Department of Informatics Engineering, Univ Coimbra, Coimbra, Portugal.

Computers in biology and medicine
|February 2, 2025
PubMed
概括

我们开发了ABIET,这是一种可解释的AI工具,它使用变压器模型来确定分子中的关键功能组,用于药物发现. 这提高了透明度,并有助于设计更有效的药物.

关键词:
注意力权重是注意力权重.生物活动是生物活动.深度学习是一种深度学习.药物设计 药物设计可解释的人工智能功能组是指功能组中的功能组.变压器变压器变压器

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