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DART Predictor:一种多标签注意力模型,用于高效筛选具有发育和生殖 ...
针对发育和生殖毒性(DART)化学品的快速准确识别需求,本研究提出DART Predictor多标签深度学习模型。该模型采用标签感知注意力机制,整合分子特征与暴露参数,实现六个DART结局的高效预测(平均AUC 0.964,召回率0.923)。经外部验证,模型解释性及泛化性优异 ...
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