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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

Current mathematical frameworks for predicting the flux state and macromolecular composition of the cell do not rely on thermodynamic constraints to determine the spontaneous direction of reactions. These predictions may be biologically…

最优化与控制 · 数学 2020-08-14 Amir Akbari , Bernhard O. Palsson

Advances in single-cell omics allow for unprecedented insights into the transcription profiles of individual cells. When combined with large-scale perturbation screens, through which specific biological mechanisms can be targeted, these…

机器学习 · 计算机科学 2023-10-24 Alejandro Tejada-Lapuerta , Paul Bertin , Stefan Bauer , Hananeh Aliee , Yoshua Bengio , Fabian J. Theis

We study the problem of generating paths on a graph that satisfy a collection of {\omega}-regular objectives. We propose a decoupled framework in which each objective is assigned to an independent agent that selects a local policy, while a…

形式语言与自动机理论 · 计算机科学 2026-05-14 Guy Avni , Thomas A. Henzinger , Kaushik Mallik , Suman Sadhukhan , K. S. Thejaswini

Time series models such as dynamical systems are frequently fitted to a cohort of data, ignoring variation between individual entities such as patients. In this paper we show how these models can be personalised to an individual level while…

机器学习 · 计算机科学 2019-03-22 Alex Bird , Christopher K. I. Williams , Christopher Hawthorne

In a treatment plan optimization problem for radiotherapy, a clinically acceptable plan is usually generated by an optimization process with weighting factors or reference doses adjusted for organs. Recent discoveries indicate that…

医学物理 · 物理学 2012-10-29 Masoud Zarepisheh , Andres F. Uribe-Sanchez , Nan Li , Xun Jia , Steve B. Jiang

The study of high-throughput genomic profiles from a pharmacogenomics viewpoint has provided unprecedented insights into the oncogenic features modulating drug response. A recent screening of ~1,000 cancer cell lines to a collection of…

With the development of novel therapies such as molecularly targeted agents and immunotherapy, the maximum tolerated dose paradigm that "more is better" does not necessarily hold anymore. In this context, doses and schedules of novel…

统计方法学 · 统计学 2025-11-24 Anaïs Andrillon , Sandrine Micallef , Moreno Ursino , Pavel Mozgunov , Marie-Karelle Riviere

A prototype for a web application was designed and implemented as a guide to be used by clinicians when designing the best drug therapy for a specific cancer patient, given biological data derived from the patients tumor tissue biopsy. A…

分子网络 · 定量生物学 2014-05-15 Elinor Velasquez , Jorge Soto-Andrade , Ben Bongalon

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

Drug target identification is of significant commercial interest to pharmaceutical companies, and there is a vast amount of research done related to the topic of therapeutic target identification. Interdisciplinary research in this area…

分子网络 · 定量生物学 2013-07-30 Reka Albert , Bhaskar DasGupta , Nasim Mobasheri

Cancer is a complex genetic disease involving uncontrolled cell growth and proliferation, and necessitates effective targeting of dysregulated cellular pathways underlying cancer progression. Multiple genetic and epigenetic alterations…

其他定量生物学 · 定量生物学 2026-01-28 Manish Kumar

In concurrent chemoradiotherapy, chemotherapeutic agents are administered during the course of radiotherapy to enhance the primary tumor control. However, that often comes at the expense of increased risk of normal-tissue complications. The…

医学物理 · 物理学 2014-12-12 Ehsan Salari , Jan Unkelbach , Thomas Bortfeld

We study the target control of asynchronous Boolean networks, to identify efficacious interventions that can drive the dynamics of a given Boolean network from any initial state to the desired target attractor. Based on the application…

系统与控制 · 电气工程与系统科学 2021-01-05 Cui Su , Jun Pang

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

In October 2014, the US Drug Enforcement Agency (DEA) reclassified hydrocodone from Schedule III to Schedule II of the Controlled Substances Act, resulting in a prohibition on refills in the initial prescription. While this schedule change…

To promote precision medicine, individualized treatment regimes (ITRs) are crucial for optimizing the expected clinical outcome based on patient-specific characteristics. However, existing ITR research has primarily focused on scenarios…

统计方法学 · 统计学 2024-02-20 Chang Wang , Lu Wang

This paper gives an overview of the use of control systems engineering in synthetic biology, motivated by applications such as cell therapy and cell fate reprogramming for regenerative medicine. A ubiquitous problem in these and other…

系统与控制 · 电气工程与系统科学 2026-01-29 Domitilla Del Vecchio

Feedback in cellular processes is typically inferred through cellular responses to experimental perturbations. Modular response analysis provides a theoretical framework for translating specific perturbations into feedback sensitivities…

分子网络 · 定量生物学 2025-05-09 Seshu Iyengar , Andreas Hilfinger

Optimal treatment rules can improve health outcomes on average by assigning a treatment associated with the most desirable outcome to each individual. Due to an unknown data generation mechanism, it is appealing to use flexible models to…

统计方法学 · 统计学 2023-11-21 Lingjie Shen , Gijs Geleijnse , Maurits Kaptein