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Computational systems and methods are often being used in biological research, including the understanding of cancer and the development of treatments. Simulations of tumor growth and its response to different drugs are of particular…

Cell heterogeneity plays an important role in patient responses to drug treatments. In many cancers, it is associated with poor treatment outcomes. Many modern drug combination therapies aim to exploit cell heterogeneity, but determining…

Quantitative Methods · Quantitative Biology 2025-02-18 Simon F. Martina-Perez , Samuel W. S. Johnson , Rebecca M. Crossley , Jennifer C. Kasemeier , Paul M. Kulesa , Ruth E. Baker

Precision medicine has the potential to tailor treatment decisions to individual patients using machine learning (ML) and artificial intelligence (AI), but it faces significant challenges due to complex biases in clinical observational data…

Machine Learning · Computer Science 2024-11-26 Michael Vollenweider , Manuel Schürch , Chiara Rohrer , Gabriele Gut , Michael Krauthammer , Andreas Wicki

We consider the problem of how to assign treatment in a randomized experiment, in which the correlation among the outcomes is informed by a network available pre-intervention. Working within the potential outcome causal framework, we…

Methodology · Statistics 2017-05-19 Guillaume W. Basse , Edoardo M. Airoldi

Computational models and simulations are not just appealing because of their intrinsic characteristics across spatiotemporal scales, scalability, and predictive power, but also because the set of problems in cancer biomedicine that can be…

Tissues and Organs · Quantitative Biology 2023-11-01 Nicolò Cogno , Cristian Axenie , Roman Bauer , Vasileios Vavourakis

The subject of this work is multiple group random coefficients regression models with several treatments and one control group. Such models are often used for studies with cluster randomized trials. We investigate A-, D- and E-optimal…

Statistics Theory · Mathematics 2018-07-27 Maryna Prus

Precision medicine stands as a transformative approach in healthcare, offering tailored treatments that can enhance patient outcomes and reduce healthcare costs. As understanding of complex disease improves, clinical trials are being…

Methodology · Statistics 2024-05-15 Lara Maleyeff , Shirin Golchi , Erica E. M. Moodie , Marie Hudson

Precision cancer medicine aims to determine the optimal treatment for each patient. In-vitro cancer drug sensitivity screens combined with multi-omics characterization of the cancer cells have become an important tool to achieve this aim.…

Methodology · Statistics 2024-03-14 Zhi Zhao , Marco Banterle , Alex Lewin , Manuela Zucknick

The intratumor heterogeneity has been recognized to characterize cancer cells impairing the efficacy of cancer treatments. We here propose an extension of constraint-based modeling approach in order to simulate metabolism of cell…

Quantitative Methods · Quantitative Biology 2016-07-18 M. Di Filippo , C. Damiani , R. Colombo , D. Pescini , G. Mauri

The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…

Factorial designs with randomization restrictions are often used in industrial experiments when a complete randomization of trials is impractical. In the statistics literature, the analysis, construction and isomorphism of factorial designs…

Methodology · Statistics 2019-09-25 Neil A. Spencer , Pritam Ranjan , Franklin Mendivil

Tumors can manifest in various forms and in different areas of the human body. Brain tumors are specifically hard to diagnose and treat because of the complexity of the organ in which they develop. Detecting them in time can lower the…

Image and Video Processing · Electrical Eng. & Systems 2024-03-18 Antonio Curci , Andrea Esposito

Many-body descriptors are widely used to represent atomic environments in the construction of machine learned interatomic potentials and more broadly for fitting, classification and embedding tasks on atomic structures. It was generally…

Balanced incomplete block designs (BIBDs) are a class of designs with v treatments and b blocks of size k that are optimal with regards to a wide range of optimality criteria, but it is not clear which designs to choose for combinations of…

Statistics Theory · Mathematics 2019-02-13 Sera Aylin Cakiroglu , Peter J Cameron

Pathologic complete response (pCR) is a common primary endpoint for a phase II trial or even accelerated approval of neoadjuvant cancer therapy. If granted, a two-arm confirmatory trial is often required to demonstrate the efficacy with a…

Methodology · Statistics 2021-05-25 Marta Bofill Roig , Yu Shen , Guadalupe Gómez Melis

Biomarkers abound in many areas of clinical research, and often investigators are interested in combining them for diagnosis, prognosis, or screening. In many applications, the true positive rate for a biomarker combination at a…

Methodology · Statistics 2019-10-08 Allison Meisner , Marco Carone , Margaret S. Pepe , Kathleen F. Kerr

Targeting RNA with small molecules offers significant therapeutic potential. Machine learning could substantially accelerate preclinical drug discovery, from hit identification to lead optimization. Yet a fundamental limitation emerges:…

Biomolecules · Quantitative Biology 2025-12-18 Wissam Karroucha , Carlos Oliver , Veronique Stoven , Vincent Mallet

In advancing discrete-based computational cancer models towards clinical applications, one faces the dilemma of how to deal with an ever growing amount of biomedical data that ought to be incorporated eventually in one form or another.…

Cell Behavior · Quantitative Biology 2008-06-26 Le Zhang , L. Leon Chen , Thomas S. Deisboeck

Large language models (LLMs) have demonstrated potential in the innovation of many disciplines. However, how they can best be developed for oncology remains underdeveloped. State-of-the-art OpenAI models were fine-tuned on a clinical…

Artificial Intelligence · Computer Science 2024-06-17 Tristen Pool , Dennis Trujillo

Although optimal control theory has been used for the theoretical study of anti-cancerous drugs scheduling optimization, with the aim of reducing the primary tumor volume, the effect on metastases is often ignored. Here, we use a previously…

Tissues and Organs · Quantitative Biology 2013-06-21 Sebastien Benzekry , Philip Hahnfeldt