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Updated: Jun 12, 2025

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通过多种描述器类推进口服药物的深度学习和机器学习模型的开发:专注于药物动力学参数 (Vdss和PPB)

Rakesh Bantu1, Samiron Phukan2, Simon Haydar1

  • 1Integrated Drug Discovery, Aragen Lifesciences Ltd, Hyderabad, 500076, India.

Molecular diversity
|June 11, 2025
PubMed
概括

这项研究引入了预测性深度学习和机器学习模型,以准确预测药物动力学参数,如分布量和血蛋白结合,为分子描述器角色提供了新的见解.

关键词:
化学信息学 化学信息学深度学习 (DL) 是指深度学习.药物代谢和药理动力学 (DMPK)机器学习 (ML) 是指机器学习.分子描述器分子描述器它与等离子体蛋白质结合.分发的数量分布的数量.

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