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Updated: May 13, 2025

Achieving Moderate Pressures in Sealed Vessels Using Dry Ice As a Solid CO2 Source
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Published on: August 17, 2018

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在scCO2中改进了可溶性预测,使用热力学信息机器学习模型

Dmitriy M Makarov1, Nikolai N Kalikin1, Yury A Budkov1,2

  • 1Laboratory of Multiscale Modeling of Molecular Systems, G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, Ivanovo 153045, Russia.

Journal of chemical information and modeling
|April 15, 2025
PubMed
概括

预测在超临界二氧化碳 (scCO2) 中的溶解度对于有效的药物开发至关重要. 这项研究使用具有热力学特性的域感知机器学习来改善可溶性预测,增强实验设计.

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