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Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic query-based molecule…

Machine Learning · Computer Science 2022-04-21 Samuel Hoffman , Vijil Chenthamarakshan , Kahini Wadhawan , Pin-Yu Chen , Payel Das

Robust optimization is a commonly employed method to mitigate uncertainties in the planning of intensity-modulated proton therapy (IMPT). In certain contexts, the large number of uncertainty scenarios makes the robust problem impractically…

Medical Physics · Physics 2025-04-22 Ivar Bengtsson

Our objective is the calibration of mathematical tumor growth models from a single multiparametric scan. The target problem is the analysis of preoperative Glioblastoma (GBM) scans. To this end, we present a fully automatic tumor-growth…

Medical Physics · Physics 2020-01-28 Klaudius Scheufele , Shashank Subramanian , George Biros

Working towards the development of an evolvable cancer treatment simulator, the investigation of Differential Evolution was considered, motivated by the high efficiency of variations of this technique in real-valued problems. A basic DE…

Neural and Evolutionary Computing · Computer Science 2020-03-27 Michail-Antisthenis Tsompanas , Larry Bull , Andrew Adamatzky , Igor Balaz

The majority of cancer treatments end in failure due to Intra-Tumor Heterogeneity (ITH). ITH in cancer is represented by clonal evolution where different sub-clones compete with each other for resources under conditions of Darwinian natural…

Targeted therapies on the basis of genomic aberrations analysis of the tumor have shown promising results in cancer prognosis and treatment. Regardless of tumor type, trials that match patients to targeted therapies for their particular…

Applications · Statistics 2018-04-18 Yanxun Xu , Peter Mueller , Apostolia M Tsimberidou , Donald Berry

The experimenter must perform a legitimate search in the entire set of feasible censoring schemes to identify the optimal type II progressive censoring scheme, when applied to a life-testing experiment. Current recommendations are limited…

Applications · Statistics 2025-07-29 Ujjwal Roy , Ritwik Bhattacharya

Meta-heuristics are powerful tools for solving optimization problems whose structural properties are unknown or cannot be exploited algorithmically. We propose such a meta-heuristic for a large class of optimization problems over discrete…

Discrete Mathematics · Computer Science 2021-06-22 Moritz Mühlenthaler , Alexander Raß , Manuel Schmitt , Rolf Wanka

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

Path integral control is an effective method in cancer drug treatment, providing a structured approach to handle the complexities and unpredictability of tumor behavior. Utilizing mathematical principles from physics, this technique…

Tissues and Organs · Quantitative Biology 2024-12-19 Jason Sonith

Glioblastoma is profoundly heterogeneous in microstructure and vasculature, which may lead to tumor regional diversity and distinct treatment response. Although successful in tumor sub-region segmentation and survival prediction, radiomics…

Image and Video Processing · Electrical Eng. & Systems 2021-09-30 Yifan Li , Chao Li , Stephen Price , Carola-Bibiane Schönlieb , Xi Chen

In the era of targeted therapy, there has been increasing concern about the development of oncology drugs based on the "more is better" paradigm, developed decades ago for chemotherapy. Recently, the US Food and Drug Administration (FDA)…

Methodology · Statistics 2022-09-07 Beibei Guo , Ying Yuan

Using a novel modeling approach based on the so-called environmental stress level (ESL), we develop a mathematical model to describe systematically the collective influence of oxygen concentration and stiffness of the extracellular matrix…

Cell Behavior · Quantitative Biology 2023-10-31 Sabrina Schönfeld , Laura Scarabosio , Alican Ozkan , Marissa Nichole Rylander , Christina Kuttler

Treatment planning uncertainties are typically managed using margin-based or robust optimization. Margin-based methods expand the clinical target volume (CTV) to a planning target volume, generally unsuited for proton therapy. Robust…

Personalized cancer treatments based on the molecular profile of a patient's tumor are an emerging and exciting class of treatments in oncology. As genomic tumor profiling is becoming more common, targeted treatments to specific molecular…

We formulate and analyze a mathematical model describing immune response to avascular tumor under the influence of immunotherapy and chemotherapy and their combinations as well as vaccine treatments. The effect of vaccine therapy is…

Cell Behavior · Quantitative Biology 2008-10-15 O. G. Isaeva , V. A. Osipov

We investigate a new dynamical system that describes tumor-host interaction. The equation that describes the untreated tumor growth is based on non-extensive statistical mechanics. Recently, this model has been shown to fit successfully…

Dynamic treatment regimes (DTR) are sequential decision rules corresponding to several stages of intervention. Each rule maps patients' covariates to optional treatments. The optimal dynamic treatment regime is the one that maximizes the…

Methodology · Statistics 2023-10-10 Zhishuai Liu , Zishu Zhan , Jian Liu , Danhui Yi , Cunjie Lin , Yufei Yang

In early-phase cancer clinical trials, the limited availability of data presents significant challenges in developing a framework to efficiently quantify treatment effectiveness. To address this, we propose a novel utility-based Bayesian…

Methodology · Statistics 2025-06-10 Saurabh Bhandari , Michael J. Daniels , Chenguang Wang

Gene selection plays a pivotal role in oncology research for improving outcome prediction accuracy and facilitating cost-effective genomic profiling for cancer patients. This paper introduces two gene selection strategies for deep…

Genomics · Quantitative Biology 2024-03-05 Akhila Krishna , Ravi Kant Gupta , Pranav Jeevan , Amit Sethi
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