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Updated: Jun 6, 2025

Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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使用热力学和相互作用机制通过模型比较和验证对药物溶解性的计算智能分析

Ahmad J Obaidullah1, Wael A Mahdi2

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

Scientific reports
|November 28, 2024
PubMed
概括

高斯过程回归 (GPR) 在预测药物溶解性和聚合物相互作用方面表现出色. 这种强大的模型,通过烟花算法 (FWA) 进行优化,为制药研究中的复杂数据集提供了精确的预测.

关键词:
药物设计 药物设计药物溶解性 药物溶解性 药物溶解性烟花的算法 烟花的算法高斯过程回归的高斯过程回归.超参数优化的超参数优化

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