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Updated: May 11, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
05:08

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid

Published on: September 20, 2017

16.6K

使用机器学习和原子贡献预测药物的可溶性在超临界二氧化碳中

Ahmadreza Roosta1, Feridun Esmaeilzadeh1, Reza Haghbakhsh2

  • 1School of Chemical and Petroleum Engineering, Shiraz University, Mollasadra Ave., Shiraz 71348-51154, Iran.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V
|April 18, 2025
PubMed
概括

这项研究引入了一种新的人工智能 (AI) 方法,将原子贡献 (AC) 和机器学习 (ML) 结合起来,以预测在超临界二氧化碳 (SC-CO2) 中的药物溶解度. 混合模型准确地估计了溶解度,为制药过程中的有机溶剂提供了更绿色的替代品.

关键词:
原子的贡献 原子的贡献药物溶解性 药物溶解性 药物溶解性机器学习 机器学习制药公司 制药公司超临界的二氧化碳.支持矢量机器的支持矢量机器.

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