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Signalling pathways are abstractions that help life scientists structure the coordination of cellular activity. Cross-talk between pathways accounts for many of the complex behaviours exhibited by signalling pathways and is often critical…

Computational Engineering, Finance, and Science · Computer Science 2010-02-23 Robin Donaldson , Muffy Calder

Summary: PDBImages is an innovative, open-source Node.js package that harnesses the power of the popular macromolecule structure visualization software Mol*. Designed for use by the scientific community, PDBImages provides a means to…

Biomolecules · Quantitative Biology 2024-01-03 Adam Midlik , Sreenath Nair , Stephen Anyango , Mandar Deshpande , David Sehnal , Mihaly Varadi , Sameer Velankar

The advancement of human healthspan and bioengineering relies heavily on predicting the behavior of complex biological systems. While high-throughput multiomics data is becoming increasingly abundant, converting this data into actionable…

Machine Learning · Computer Science 2025-12-10 Udesh Habaraduwa , Andrei Lixandru

The emergence of large multimodal models (LMMs) has brought significant advancements to pathology. Previous research has primarily focused on separately training patch-level and whole-slide image (WSI)-level models, limiting the integration…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Yuxuan Sun , Yixuan Si , Chenglu Zhu , Xuan Gong , Kai Zhang , Pingyi Chen , Ye Zhang , Zhongyi Shui , Tao Lin , Lin Yang

The use of diverse modalities, such as omics, medical images, and clinical data can not only improve the performance of prognostic models but also deepen an understanding of disease mechanisms and facilitate the development of novel…

Image and Video Processing · Electrical Eng. & Systems 2025-08-14 Maria Boyko , Aleksandra Beliaeva , Dmitriy Kornilov , Alexander Bernstein , Maxim Sharaev

For agentic systems to use external tools to solve complex, long-horizon tasks, we need a large set of diverse and controllable tool-use environments. We introduce SynthTools, a fully LLM-based pipeline spanning the entire lifecycle:…

Artificial Intelligence · Computer Science 2026-05-28 Tommaso Castellani , Naimeng Ye , Daksh Mittal , Thomson Yen , Emmanouil Koukoumidis , William Zeng , Hongseok Namkoong

Applications to support pedestrian mobility in urban areas require a complete, and routable graph representation of the built environment. Globally available information, including aerial imagery provides a scalable source for constructing…

Computer Vision and Pattern Recognition · Computer Science 2024-07-25 Yuxiang Zhang , Bill Howe , Sachin Mehta , Nicholas-J Bolten , Anat Caspi

The Globaltest is a powerful test for the global null hypothesis that there is no association between a group of features and a response of interest, which is popular in pathway testing in metabolomics. Evaluating multiple pathways,…

Methodology · Statistics 2021-02-05 Ningning Xu , Aldo Solari , Jelle Goeman

Recent advances in whole slide imaging (WSI) technology have led to the development of a myriad of computer vision and artificial intelligence (AI) based diagnostic, prognostic, and predictive algorithms. Computational Pathology (CPath)…

Proteomics data is essential to pathogenic understanding of a disease phenotype. In cancer, analysis of molecular signatures enables precision medicine through the identification of biological processes that drive individualized tumor…

Quantitative Methods · Quantitative Biology 2025-09-30 Irsyad Adam , Zekai Chen , David Laub , Shaun Porwal , Arda Pekis , Kevin Brown

The recent rise of cryo-EM and X-ray high-throughput techniques is providing a wealth of new structures trapped in different conformations. Understanding how proteins transition between different conformers, and how they relate to each…

Biomolecules · Quantitative Biology 2018-03-20 Laura Orellana , Johan Gustavsson , Cathrine Bergh , Ozge Yoluk , Erik Lindahl

In silico tools are important for generating novel hypotheses and exploring alternatives in de novo metabolic pathway design. However, while many computational frameworks have been proposed for retrobiosynthesis, few successful examples of…

Machine Learning · Computer Science 2026-04-16 Peter Zhiping Zhang , Jeffrey D. Varner

Pre-trained models (PTMs) are machine learning models that have been trained in advance, often on large-scale data, and can be reused for new tasks, thereby reducing the need for costly training from scratch. Their widespread adoption…

Software Engineering · Computer Science 2026-02-19 Jerin Yasmin , Wenxin Jiang , James C. Davis , Yuan Tian

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Background: Nowadays, the reconstruction of genome scale metabolic models is a non-automatized and interactive process based on decision taking. This lengthy process usually requires a full year of one person's work in order to satisfactory…

Molecular Networks · Quantitative Biology 2026-02-06 R. Reyes , D. Gamermann , A. Montagud , D. Fuente , J. Triana , J. F. Urchuegía , P. Fernández de Córdoba

NLP-based computer vision models, particularly vision transformers, have been shown to outperform CNN models in many imaging tasks. However, most digital pathology artificial-intelligence models are based on CNN architectures, probably…

Computation and Language · Computer Science 2023-02-22 Min Cen , Xingyu Li , Bangwei Guo , Jitendra Jonnagaddala , Hong Zhang , Xu Steven Xu

Advances in foundation modeling have reshaped computational pathology. However, the increasing number of available models and lack of standardized benchmarks make it increasingly complex to assess their strengths, limitations, and potential…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Andrew Zhang , Guillaume Jaume , Anurag Vaidya , Tong Ding , Faisal Mahmood

Although melanoma occurs more rarely than several other skin cancers, patients' long term survival rate is extremely low if the diagnosis is missed. Diagnosis is complicated by a high discordance rate among pathologists when distinguishing…

Computational pathology, which involves analyzing whole slide images for automated cancer diagnosis, relies on multiple instance learning, where performance depends heavily on the feature extractor and aggregator. Recent Pathology…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Conghao Xiong , Hao Chen , Joseph J. Y. Sung

Large Language Models (LLMs) have demonstrated proficiency in addressing tasks that necessitate a combination of task planning and the usage of external tools that require a blend of task planning and the utilization of external tools, such…

Artificial Intelligence · Computer Science 2023-11-21 Yilun Kong , Jingqing Ruan , Yihong Chen , Bin Zhang , Tianpeng Bao , Shiwei Shi , Guoqing Du , Xiaoru Hu , Hangyu Mao , Ziyue Li , Xingyu Zeng , Rui Zhao
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