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Updated: Jan 9, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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机械,数据驱动和混合模型:替代药物溶解建模中的关键比较

Barbara Honti1, Gréta Mihályi1, 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.

International journal of pharmaceutics
|December 7, 2025
PubMed
概括

数学建模有助于制药开发. 结合人工神经网络 (ANN) 和人口平衡模型 (PBM) 的新型混合模型准确预测药物溶解,优于独立模型.

关键词:
可解释的人工智能 (XAI)混合建模混合建模人口平衡公式的人口平衡方程式替代溶解建模 替代溶解建模药片分解 药片分解

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