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The aim of this chapter is to provide a brief introduction into the basics of a top-down multilevel tumor dynamics modeling method primarily based on discrete entity consideration and manipulation. The method is clinically oriented, one of…

医学物理 · 物理学 2010-09-14 Georgios Stamatakos

We propose BaySize, a sample size calculator for phase I clinical trials using Bayesian models. BaySize applies the concept of effect size in dose finding, assuming the MTD is defined based on an equivalence interval. Leveraging a decision…

统计方法学 · 统计学 2023-03-29 Xiaolei Lin , Jiaying Lyu , Shijie Yuan , Sue-Jane Wang , Yuan Ji

Adaptive Phase 2/3 designs hold great promise in contemporary oncology drug development, especially when limited data from Phase 1 dose-finding is insufficient for identifying an optimal dose. However, there is a general concern about…

应用统计 · 统计学 2025-02-25 Cong Chen , Mo Huang

Chemotherapy is one of the primary modalities of cancer treatment. Chemotherapy drug administration is a complex problem that often requires expensive clinical trials to evaluate potential regimens. One way to alleviate this burden and…

The concept of personalised medicine in cancer therapy is becoming increasingly important. There already exist drugs administered specifically for patients with tumours presenting well-defined mutations. However, the field is still in its…

生物大分子 · 定量生物学 2024-08-26 Abbi Abdel-Rehim , Oghenejokpeme Orhobor , Gareth Griffiths , Larisa Soldatova , Ross D. King

Optimal design of a Phase I cancer trial can be formulated as a stochastic optimization problem. By making use of recent advances in approximate dynamic programming to tackle the problem, we develop an approximation of the Bayesian optimal…

统计方法学 · 统计学 2010-12-01 Jay Bartroff , Tze Leung Lai

Dose-finding studies are frequently conducted to evaluate the effect of different doses or concentration levels of a compound on a response of interest. Applications include the investigation of a new medicinal drug, a herbicide or…

应用统计 · 统计学 2011-08-01 Björn Bornkamp , Frank Bretz , Holger Dette , José Pinheiro

Accurate estimation of tacrolimus exposure, quantified by the area under the concentration-time curve (AUC), is essential for precision dosing after renal transplantation. Current practice relies on population pharmacokinetic (PopPK) models…

机器学习 · 统计学 2026-02-04 Benjamin Maurel , Agathe Guilloux , Sarah Zohar , Moreno Ursino , Jean-Baptiste Woillard

Throughout the different phases of a drug development program, randomized trials are used to establish the tolerability, safety, and efficacy of a candidate drug. At each stage one aims to optimize the design of future studies by…

应用统计 · 统计学 2021-02-08 Sebastian Weber , Andrew Gelman , Daniel Lee , Michael Betancourt , Aki Vehtari , Amy Racine

Artificial intelligence (AI) is increasingly used in every stage of drug development. One challenge facing drug discovery AI is that drug pharmacokinetic (PK) datasets are often collected independently from each other, often with limited…

定量方法 · 定量生物学 2025-07-03 Bing Hu , Anita Layton , Helen Chen

One of the most significant barriers to medication treatment is patients' non-adherence to a prescribed medication regimen. The extent of the impact of poor adherence on resulting health measures is often unknown, and typical analyses…

应用统计 · 统计学 2018-12-04 Luis F. Campos , Mark E. Glickman , Kristen B. Hunter

Personalizing combination therapies in oncology requires navigating an immense space of possible drug and dose combinations, a task that remains largely infeasible through exhaustive experimentation. Recent developments in patient-derived…

机器学习 · 计算机科学 2025-09-10 Antoine de Mathelin , Christopher Tosh , Wesley Tansey

Physiologically based pharmacokinetic (PBPK) models provide a mechanistic framework for simulating radiopharmaceutical kinetics and estimating patient-specific absorbed doses (ADs). PBPK models incorporate prior knowledge of patient…

医学物理 · 物理学 2025-10-29 Nouran R. R. Zaid , Deni Hardiansyah , Tahir Yusufaly , Arman Rahmim

We propose a Bayesian optimal phase 2 design for jointly monitoring efficacy and toxicity, referred to as BOP2-TE, to improve the operating characteristics of the BOP2 design proposed by Zhou et al. (2017). BOP2-TE utilizes a…

统计方法学 · 统计学 2024-08-13 Kai Chen , Heng Zhou , J. Jack Lee , Ying Yuan

This paper presents a mathematical framework for optimizing drug delivery in cancer treatment using a nonlocal model of solid tumor growth. We present a coupled system of partial differential equations that incorporate long-range cellular…

最优化与控制 · 数学 2025-03-13 Bouhamidi Abderrahman , El Harraki Imad , Melouani Yassine

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the…

机器学习 · 计算机科学 2023-02-22 Yaobin Ling , Pulakesh Upadhyaya , Luyao Chen , Xiaoqian Jiang , Yejin Kim

Drug-drug interactions (DDIs) strongly affect the safety and efficacy of combination therapies. Despite the availability of large DDI databases, selecting optimal multi-drug combinations that balance safety, therapeutic benefit, and regimen…

量子物理 · 物理学 2026-01-27 Mai Nguyen Phuong Nhi , Lan Nguyen Tran , Le Bin Ho

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

机器学习 · 计算机科学 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

Motivated by the size of cell line drug sensitivity data, researchers have been developing machine learning (ML) models for predicting drug response to advance cancer treatment. As drug sensitivity studies continue generating data, a common…

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

定量方法 · 定量生物学 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng