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Updated: Sep 17, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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基于机器学习的分析药物化合物与聚合物的相互作用,以估计配方中的药物溶解度

Ahmad J Obaidullah1, Wael A Mahdi2

  • 1Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia. aobaidullah@ksu.edu.sa.

Scientific reports
|July 2, 2025
PubMed
概括

这项研究开发了一种机器学习框架,以准确预测药物的溶解性和活性. 与特征选择和超参数优化相结合的学习显著提高了药物配方的预测准确性.

关键词:
药物的配方 药物的配方药物聚合物相互作用 药物聚合物相互作用组合学习学习 组合学习功能选择 功能选择超参数优化超参数优化

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