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Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…

The structure of proteins is essential for its function. The determination of protein structures is possible by experimental or predicted by computational methods, but also a combination of both approaches is possible. Here, first an…

其他定量生物学 · 定量生物学 2020-03-03 Gerhard Mayer

Mass spectrometry-based proteomics has become the tool of choice for identifying and quantifying the proteome of an organism. Though recent years have seen a tremendous improvement in instrument performance and the computational tools used,…

Pre-validation is a way to build prediction model with two datasets of significantly different feature dimensions. Previous work showed that the asymptotic distribution of the resulting test statistic for the pre-validated predictor…

统计方法学 · 统计学 2025-05-23 Jing Shang , Sourav Chatterjee , Trevor Hastie , Robert Tibshirani

Proteomics will celebrate its 20th year in 2014. In this relatively short period of time, it has invaded most areas of biology and its use will probably continue to spread in the future. These two decades have seen a considerable increase…

基因组学 · 定量生物学 2014-03-24 Thierry Rabilloud , Pierre Lescuyer

Prognostic and diagnostic AI-based medical devices hold immense promise for advancing healthcare, yet their rapid development has outpaced the establishment of appropriate validation methods. Existing approaches often fall short in…

机器学习 · 计算机科学 2024-09-10 Florian Hellmeier , Kay Brosien , Carsten Eickhoff , Alexander Meyer

Motivation: Assigning statistical significance accurately has become increasingly important as meta data of many types, often assembled in hierarchies, are constructed and combined for further biological analyses. Statistical inaccuracy of…

定量方法 · 定量生物学 2014-07-25 Gelio Alves , Yi-Kuo Yu

Validation metrics are key for the reliable tracking of scientific progress and for bridging the current chasm between artificial intelligence (AI) research and its translation into practice. However, increasing evidence shows that…

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…

Despite the recent advances in mass spectrometry (MS), summarizing and analyzing high-throughput mass-spectrometry data remains a challenging task. This is, on the one hand, due to the complexity of the spectral signal which is measured,…

统计方法学 · 统计学 2016-06-30 Alexia Kakourou , Werner Vach , Bart Mertens

Multi-particle interference is a key resource for quantum information processing, as exemplified by Boson Sampling. Hence, given its fragile nature, an essential desideratum is a solid and reliable framework for its validation. However,…

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

应用统计 · 统计学 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Quantitative measurements produced by mass spectrometry proteomics experiments offer a direct way to explore the role of proteins in molecular mechanisms. However, analysis of such data is challenging due to the large proportion of missing…

统计方法学 · 统计学 2025-01-22 Haeun Moon , Jin-Hong Du , Jing Lei , Kathryn Roeder

The impact of machine learning models on healthcare will depend on the degree of trust that healthcare professionals place in the predictions made by these models. In this paper, we present a method to provide people with clinical expertise…

机器学习 · 计算机科学 2021-03-05 Aniruddh Raghu , John Guttag , Katherine Young , Eugene Pomerantsev , Adrian V. Dalca , Collin M. Stultz

Numerical predictions of quantities of interest measured within physical systems rely on the use of mathematical models that should be validated, or at best, not invalidated. Model validation usually involves the comparison of experimental…

计算工程、金融与科学 · 计算机科学 2023-07-19 Antonin Paquette-Rufiange , Serge Prudhomme , Marc Laforest

There is increasing interest in the use of diagnostic rules based on microarray data. These rules are formed by considering the expression levels of thousands of genes in tissue samples taken on patients of known classification with respect…

统计理论 · 数学 2008-12-18 G. J. McLachlan , J. Chevelu , J. Zhu

Missing values are a notable challenge when analysing mass spectrometry-based proteomics data. While the field is still actively debating on the best practices, the challenge increased with the emergence of mass spectrometry-based…

定量方法 · 定量生物学 2023-07-12 Christophe Vanderaa , Laurent Gatto

Because experiment/model comparisons in magnetic confinement fusion have not yet satisfied the requirements for validation as understood broadly, a set of approaches to validating mathematical models and numerical algorithms are recommended…

Raman spectroscopy's capability to provide meaningful composition predictions is heavily reliant on a pre-processing step to remove insignificant spectral variation. This is crucial in biofluid analysis. Widespread adoption of diagnostics…

信号处理 · 电气工程与系统科学 2019-04-05 Emily E Storey , Amr S. Helmy

Motivation: Mass spectrometry-based proteomics is among the most commonly used methods for scrutinizing proteomic profiles in different organs for biological or medical researches. All the proteomic analyses including peptide/protein…

定量方法 · 定量生物学 2017-11-01 Chunwei Ma
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