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Theranostics, the combination of diagnosis and therapy, has long held promise as a means to achieving personalised precision cancer treatments. However, despite its potential, theranostics has yet to realise significant clinical…

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

Imaging mass spectrometry (IMS) has transformed proteomics by providing an avenue for collecting spatially distributed molecular data. Mass spectrometry data acquired with matrix assisted laser desorption ionization (MALDI) IMS consist of…

Applications · Statistics 2016-02-05 Lyron J. Winderbaum , Inge Koch , Ove J. R. Gustafsson , Stephan Meding , Peter Hoffmann

Liquid Chromatography coupled to Mass Spectrometry (LC-MS) based methods are commonly used for high-throughput, quantitative measurements of the proteome (i.e. the set of all proteins in a sample at a given time). Targeted LC-MS produces…

Computer Vision and Pattern Recognition · Computer Science 2020-10-28 Leon L. Xu , Hannes L. Röst

The effective visualization of genomic data is crucial for exploring and interpreting complex relationships within and across genes and genomes. Despite advances in developing dedicated bioinformatics software, common visualization tools…

Genomics · Quantitative Biology 2024-11-22 Thomas Hackl , Markus Ankenbrand , Bart van Adrichem , David Wilkins , Kristina Haslinger

High-throughput technologies to collect field data have made observations possible at scale in several branches of life sciences. The data collected can range from the molecular level (genotypes) to physiological (phenotypic traits) and…

Computational Geometry · Computer Science 2021-07-07 Youjia Zhou , Methun Kamruzzaman , Patrick Schnable , Bala Krishnamoorthy , Ananth Kalyanaraman , Bei Wang

Current histopathological grading of prostate cancer relies primarily on glandular architecture, largely overlooking the tumor microenvironment. Here, we present PROTAS, a deep learning framework that quantifies reactive stroma (RS) in…

Motivation: The visualization and analysis of high-dimensional data are essential in biomedical research. There is a need for secure, scalable, and reproducible tools to facilitate data exploration and interpretation. Results: We introduce…

Quantitative Methods · Quantitative Biology 2025-04-15 Xijin Ge

We describe a computer application designed to analyze hyperspectral data collected by the Compact Infrared Spectrometer for Mars (CRISM). The application links the spectral, imaging and mapping perspectives on the eventual CRISM dataset by…

Instrumentation and Methods for Astrophysics · Physics 2014-01-29 Adrian J. Brown , Michael Storrie-Lombardi

This paper introduces PROTEUS, a fully automated system that produces data-driven hypotheses from raw data files. We apply PROTEUS to clinical proteogenomics, a field where effective downstream data analysis and hypothesis proposal is…

Artificial Intelligence · Computer Science 2025-06-10 Shang Qu , Ning Ding , Linhai Xie , Yifei Li , Zaoqu Liu , Kaiyan Zhang , Yibai Xiong , Yuxin Zuo , Zhangren Chen , Ermo Hua , Xingtai Lv , Youbang Sun , Yang Li , Dong Li , Fuchu He , Bowen Zhou

Summary: Biospectrogam is an open-source software for the spectral analysis of DNA and protein sequences. The software can fetch (from NCBI server), import and manage biological data. One can analyze the data using Digital Signal Processing…

Quantitative Methods · Quantitative Biology 2012-10-05 Naman Turakhia , Nilay Chheda , Manish K. Gupta , Ruchin Shah , Jigar Raisinghani

Tabulated content is omnipresent in scientific literature. This work presents the R package *tableParser*, designed to extract and postprocess tables from NISO-JATS-encoded XML, HTML, DOCX, and, with limitations, PDF documents.…

Applications · Statistics 2026-03-23 Ingmar Böschen

We present ProbMetab, an R package which promotes substantial improvement in automatic probabilistic LC-MS based metabolome annotation. The inference engine core is based on a Bayesian model implemented to: (i) allow diverse source of…

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan

We present AngstromPro, a versatile, modular and open-source software built on Python for managing, visualizing and analyzing large datasets acquired via Scanning Tunneling Microscopes (STM). Its robust architecture features a top-level…

Superconductivity · Physics 2026-04-22 Huiyu Zhao , Jiahao Yan , Catherine Dawson , Haitao Yang , Hong-Jun Gao

Omic data are characterized by the presence of strong dependence structures that result either from data acquisition or from some underlying biological processes. In metabolomics, for instance, data resulting from Liquid Chromatography-Mass…

MALDIquant and associated R packages provide a versatile and completely free open-source platform for analyzing 2D mass spectrometry data as generated for instance by MALDI and SELDI instruments. We first describe the various methods and…

Quantitative Methods · Quantitative Biology 2016-07-13 Sebastian Gibb , Korbinian Strimmer

Liquid chromatography mass spectrometry (LC-MS)-based metabolomics and exposomics aim to measure detectable small molecules in biological samples. The results facilitate hypothesis-generating discovery of metabolic changes and disease…

Quantitative Methods · Quantitative Biology 2026-01-06 Xujun Che , Xiuxia Du , Depeng Xu

Atom probe tomography (APT) has matured to a versatile nanoanalytical characterization tool with applications that range from materials science to geology and possibly beyond. Already, well over 100 APT microscopes exist worldwide.…

Computational Physics · Physics 2020-04-14 Markus Kühbach , Priyanshu Bajaj , Murat Han Celik , Eric Aimo Jägle , Baptiste Gault

Analyzing proteins from single cells by tandem mass spectrometry (MS) has become technically feasible. While such analysis has the potential to accurately quantify thousands of proteins across thousands of single cells, the accuracy and…