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可解释的深度循环神经网络,用于根据Pharma 4.0的精神对制药片制过程的批量分析
Barbara Honti1, Attila Farkas1, Zsombor Kristóf Nagy1
1Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., H-1111 Budapest, Hungary.
人工神经网络 (ANN) 是为了预测制药制造中的浪费而开发的. 循环神经网络 (RNN) 准确预测废弃物轨迹,帮助数据驱动的决策和制药4.0倡议.
科学领域:
- 制药制造业 制药制造业 制药制造业
- 在药物生产中的数据科学.
- 工业4.0应用程序的应用.
背景情况:
- 销售商品成本 (COGS) 的上升对制药行业构成了挑战.
- 正确的第一时间原则和数据驱动的决策对于竞争力至关重要.
- 优化制药生产流程对于可持续性至关重要.
研究的目的:
- 开发和比较人工神经网络 (ANN) 模型,用于预测药品片剂中的浪费.
- 分析和解释ANN模型,以提高流程理解和数据驱动的决策.
- 确定影响废物产生的关键材料属性和工艺参数.
主要方法:
- 开发和比较三个ANN模型:多层感知器 (MLP),长短短期记忆 (LSTM) 和双向LSTM (biLSTM).
- 来自真实制药片制造工艺的开放访问数据集的分析.
- 实施ANN模型的解释方法,以确定影响因素.
主要成果:
- 循环神经网络 (RNN) 在预测废弃物轨迹方面表现出有效性.
- 最好的RNN模型实现了1096 (培训) 和2174 (测试) 的低根平均平方误差 (RMSE).
- 模型解释确定了影响废物的关键材料属性和工艺参数.
结论:
- 开发的ANN方法提供了对制药片制造过程的宝贵见解.
- 这种方法支持数据驱动的决策,流程优化和制药4.0的实现.
- 该方法可适应药品中的各种关键质量属性.
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