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Updated: May 12, 2026

Predicting In Vivo Payloads Delivery using a Blood-brain Tumor-barrier in a Dish
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Predicting In Vivo Payloads Delivery using a Blood-brain Tumor-barrier in a Dish

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使用与药物动力学模型集成的深度神经网络预测小鼠的血度-时间概况

Yuki Doi1, Harutoshi Kato2, Fumiyoshi Yamashita3

  • 1DMPK Research Laboratories, Mitsubishi Tanabe Pharma Corporation, Kanagawa 251-8555, Japan; Department of Quantitative Pharmaceutics, Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto 606-8501, Japan.

International journal of pharmaceutics
|April 18, 2025
PubMed
概括

这项研究引入了一种新的定量结构-活性关系 (QSAR) 方法,用于预测药理动力学 (PK) 概况. 新的深度学习方法通过直接使用体内PK数据来提高准确性,克服了传统曲线拟合方法的局限性.

关键词:
分区分析是分区分析.深度神经网络是一种深度神经网络.机器学习是机器学习.非临床的药理动力学药理动力学模型 药理动力学模型血度时间概况.在QSAR中使用QSAR.

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Pharmacokinetic Models: Overview01:20

Pharmacokinetic Models: Overview

Pharmacokinetic models utilize mathematical analysis to achieve a detailed quantitative understanding of a drug's life cycle within the body. They are instrumental in simulating a drug's pharmacokinetic parameters, predicting drug concentrations over time, optimizing dosage regimens, linking concentrations with pharmacologic activity, and estimating potential toxicity.
There are three primary types of models: empirical, compartment, and physiological. Empirical models, with minimal assumptions,...
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Model Approaches for Pharmacokinetic Data: Compartment Models

Compartmental analysis is a widely adopted approach to characterizing drug pharmacokinetics. It uses compartment models that conceptualize the body as a collection of reversibly communicating compartments, each representing a group of tissues exhibiting similar drug distribution characteristics. The movement rate of the drug between these compartments is typically described by first-order kinetics.
Two primary types of compartment models are recognized: mammillary and catenary. The more...
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Model Approaches for Pharmacokinetic Data: Distributed Parameter Models

Pharmacokinetic models are mathematical constructs that represent and predict the time course of drug concentrations in the body, providing meaningful pharmacokinetic parameters. These models are categorized into compartment, physiological, and distributed parameter models.
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Pharmacokinetic Models: Comparison and Selection Criterion

Physiological and compartmental models are valuable tools used in studying biological systems. These models rely on differential equations to maintain mass balance within the system, ensuring an accurate representation of the dynamic processes at play.
Physiological models take a detailed approach by considering specific molecular processes. They can predict drug distribution, metabolism, and elimination changes, providing a comprehensive understanding of how drugs interact with the body.
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Pharmacokinetic–Pharmacodynamic Relationship: Model Components

Pharmacokinetic-pharmacodynamic (PK–PD) modeling is essential in drug development and clinical pharmacology. It provides a quantitative framework to predict drug behavior and response over time. This approach integrates pharmacokinetics (PK), which describes the drug's absorption, distribution, metabolism, and excretion, with pharmacodynamics (PD), which characterizes the drug’s biological effects and mechanisms of action.The disposition kinetics of a drug determine its plasma...
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The link model is a fundamental pharmacokinetic-pharmacodynamic (PK–PD) approach to account for delayed drug responses when the observed effect does not immediately correlate with the drug's plasma concentration peak. This delay is mathematically addressed by introducing an effect compartment concentration, Ce, which is kinetically linked to the plasma concentration, Cp, via a first-order rate constant, ke0. The linkage allows for a more accurate prediction of drug effects over time. A higher...