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Updated: Jun 29, 2026

Predicting Treatment Response to Image-Guided Therapies Using Machine Learning: An Example for Trans-Arterial Treatment of Hepatocellular Carcinoma
04:09

Predicting Treatment Response to Image-Guided Therapies Using Machine Learning: An Example for Trans-Arterial Treatment of Hepatocellular Carcinoma

Published on: October 10, 2018

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可解释多模式共识 QSAR框架:集成机器和深度学习,以加强多终点毒性评估

Fauzan Syarif Nursyafi1, Muhammad Adnan Pramudito2, Yunendah Nur Fuadah3

  • 1Computational Medicine Lab, Department of Biomedical Engineering, Kumoh National Institute of Technology, Gumi, 39177, Republic of Korea.

Toxicology mechanisms and methods
|March 17, 2026
PubMed
概括

这项研究引入了一个新的计算框架,用于在八个终点上预测化学毒性. 多模式共识定量结构-活性关系 (QSAR) 模型为化学安全评估提供了更高的准确性和可靠性.

关键词:
多个终点毒性预测多个终点毒性预测多模式共识共识多模式共识在QSAR中使用QSAR.这就是SHAP XAI.机器学习和深度学习.

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In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

Published on: August 28, 2019

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Quantitative Aspects of Drug-Receptor Interaction

The receptor occupancy theory connects a drug's response to the number of occupied receptors. With higher drug concentrations, more receptors are occupied, leading to increased responses. The formation of drug-receptor complexes involves association and dissociation rates, which reach equilibrium when the forward and backward reactions are equal. The equilibrium association constant (Ka) and its inverse, the equilibrium dissociation constant (Kd), indicate drug affinity. Higher Ka and lower Kd...
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Analysis Methods of Pharmacokinetic Data: Model and Model-Independent Approaches

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Mechanistic Models: Overview of Compartment Models

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Mechanistic Models: Compartment Models in Individual and Population Analysis

Mechanistic models are utilized in individual analysis using single-source data, but imperfections arise due to data collection errors, preventing perfect prediction of observed data. The mathematical equation involves known values (Xi), observed concentrations (Ci), measurement errors (εi), model parameters (ϕj), and the related function (ƒi) for i number of values. Different least-squares metrics quantify differences between predicted and observed values. The ordinary least squares (OLS)...
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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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