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Powerful array-based single-nucleotide polymorphism--typing platforms have recently heralded a new era in which genome-wide studies are conducted with increasing frequency. A genetic polymorphism associated with population pharmacokinetics…

Methodology · Statistics 2018-05-15 Kengo Nagashima , Yasunori Sato , Hisashi Noma , Chikuma Hamada

Evaluating the influence of continuous covariates, like exposure time or dose, on a response variable is a pivotal objective in the assessment of a compound's effect, particularly when determining toxicity in pre-clinical research or…

Methodology · Statistics 2026-04-16 Lucia Ameis , Niklas Hagemann , Kathrin Möllenhoff

Determining the optimal initial dose for warfarin is a critically important task. Several factors have an impact on the therapeutic dose for individual patients, such as patients' physical attributes (Age, Height, etc.), medication profile,…

Machine Learning · Computer Science 2019-03-25 Ashkan Sharabiani , Adam Bress , William Galanter , Rezvan Nazempour , Houshang Darabi

Predicting synergistic drug combinations can help accelerate discovery of cancer treatments, particularly therapies personalized to a patient's specific tumor via biopsied cells. In this paper, we propose a novel setting and models for…

Artificial Intelligence · Computer Science 2023-10-26 Carl Edwards , Aakanksha Naik , Tushar Khot , Martin Burke , Heng Ji , Tom Hope

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

In a mathematical model of interacting biological organisms, where external interventions may alter behavior over time, traditional models that assume fixed parameters usually do not capture the evolving dynamics. In oncology, this is…

Machine Learning · Computer Science 2025-12-18 Kayode Olumoyin , Lamees El Naqa , Katarzyna Rejniak

Predictive modeling based on genomic data has gained popularity in biomedical research and clinical practice by allowing researchers and clinicians to identify biomarkers and tailor treatment decisions more efficiently. Analysis…

Machine Learning · Statistics 2021-02-02 Li Zeng , Zhaolong Yu , Yiliang Zhang , Hongyu Zhao

The effects of molecularly targeted drug perturbations on cellular activities and fates are difficult to predict using intuition alone because of the complex behaviors of cellular regulatory networks. An approach to overcoming this problem…

Systems and Control · Computer Science 2019-01-15 Afroza Shirin , Isaac Klickstein , Song Feng , Yen Ting Lin , William S. Hlavacek , Francesco Sorrentino

Cancer evolves continuously over time through a complex interplay of genetic, epigenetic, microenvironmental, and phenotypic changes. This dynamic behavior drives uncontrolled cell growth, metastasis, immune evasion, and therapy resistance,…

Quantitative Methods · Quantitative Biology 2025-07-08 Luoting Zhuang , Stephen H. Park , Steven J. Skates , Ashley E. Prosper , Denise R. Aberle , William Hsu

The Dunnett procedure compares several treatment or dose groups with a control group, while controlling the familywise error rate. When deviations from the normal distribution and heterogeneous variances occur, the nominal $\alpha$ level…

Applications · Statistics 2019-05-07 Ludwig A. Hothorn , Felix M. Kluxen

When planning an oncology clinical trial, the usual approach is to assume proportional hazards and even an exponential distribution for time-to-event endpoints. Often, besides the gold-standard endpoint overall survival (OS),…

Applications · Statistics 2023-12-19 Alexandra Erdmann , Jan Beyersmann , Kaspar Rufibach

Many drugs used therapeutically or recreationally induce tolerance: the effect of the substance decreases with repeated use. This phenomenon may reduce the efficacy of the substance unless dosage is increased beyond what is healthy for the…

Dynamical Systems · Mathematics 2024-03-19 Golrokh Nouri , Paul Tupper

Exploratory cancer drug studies test multiple tumor cell lines against multiple candidate drugs. The goal in each paired (cell line, drug) experiment is to map out the dose-response curve of the cell line as the dose level of the drug…

Machine Learning · Statistics 2021-03-23 Wesley Tansey , Christopher Tosh , David M. Blei

We develop a nonparametric Bayesian modeling framework for clustered ordinal responses in developmental toxicity studies, which typically exhibit extensive heterogeneity. The primary focus of these studies is to examine the dose-response…

Methodology · Statistics 2024-08-22 Jizhou Kang , Athanasios Kottas

Personalized cancer modeling for clinical applications requires robust and efficient parameter calibration, particularly in settings with limited patient data. This need is especially critical for medical digital twins (MDTs), which are…

Other Quantitative Biology · Quantitative Biology 2026-05-01 Logan Rose , Jonathan Martinez , Juho Kim , Jing Qin , Boris Aguilar , David Murrugarra

Offline estimation of the dynamical model of a Markov Decision Process (MDP) is a non-trivial task that greatly depends on the data available in the learning phase. Sometimes the dynamics of the model is invariant with respect to some…

Machine Learning · Computer Science 2023-04-13 Giorgio Angelotti , Nicolas Drougard , Caroline P. C. Chanel

In Phase I/II dose-finding trials, the objective is to find the Optimal Biological Dose (OBD), a dose that is both safe and efficacious that maximises some optimality criterion based on safety and efficacy. This is further complicated when…

Applications · Statistics 2022-03-31 Helen Barnett , Oliver Boix , Dimitris Kontos , Thomas Jaki

Clustering is commonly performed as an initial analysis step for uncovering structure in 'omics datasets, e.g. to discover molecular subtypes of disease. The high-throughput, high-dimensional nature of these datasets means that they provide…

Methodology · Statistics 2023-03-02 Paul D. W. Kirk , Filippo Pagani , Sylvia Richardson

Decision support is a probabilistic and quantitative method designed for modeling problems in situations with ambiguity. Computer technology can be employed to provide clinical decision support and treatment recommendations. The problem of…

Artificial Intelligence · Computer Science 2018-12-06 Ying Shen , Joël Colloc , Armelle Jacquet-Andrieu , Ziyi Guo , Yong Liu

Dose optimization is a hallmark of Project Optimus for oncology drug development. The number of doses to include in a dose optimization study depends on the totality of evidence, which is often unclear in early-phase development. With equal…

Methodology · Statistics 2026-01-29 Linda Sun , Yixin Ren , Cong Chen