相关论文: Mass spectrometry analysis using MALDIquant

In this article, we explored orthogonal methods to analyze malware motivated by signal and image processing. Malware samples are represented as images or signals. Image and signal-based features are extracted to characterize malware. Our…

We present nbodykit, an open-source, massively parallel Python toolkit for analyzing large-scale structure (LSS) data. Using Python bindings of the Message Passing Interface (MPI), we provide parallel implementations of many commonly used…

In this paper we present the detailed formalism at the core of the Spectral Line Identification and Modelling (SLIM) within the MAdrid Data CUBe Analysis (MADCUBA) package and their main data handling functionalities. These tools have been…

Mass spectrometry based clinical proteomics has emerged as a powerful tool for highthroughput protein profiling and biomarker discovery. Recent improvements in mass spectrometry technology have boosted the potential of proteomic studies in…

Simulated high-dimensional data is useful for testing, validating, and improving algorithms used in dimension reduction, supervised and unsupervised learning. High-dimensional data is characterized by multiple variables that are dependent…

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…

Imaging with multiple modalities or multiple channels is becoming increasingly important for our modern society. A key tool for understanding and early diagnosis of cancer and dementia is PET-MR, a combined positron emission tomography and…

The R package merlin performs flexible joint modelling of hierarchical multi-outcome data. Increasingly, multiple longitudinal biomarker measurements, possibly censored time-to-event outcomes and baseline characteristics are available.…

Tandem mass spectra capture fragmentation patterns that provide key structural information about a molecule. Although mass spectrometry is applied in many areas, the vast majority of small molecules lack experimental reference spectra. For…

Upcoming large-scale spectroscopic surveys such as WEAVE and 4MOST will provide thousands of spectra of massive stars, which need to be analysed in an efficient and homogeneous way. Studies on massive stars are usually based on samples of a…

Nonlinear dimension reduction methods provide a low-dimensional representation of high-dimensional data by applying a Nonlinear transformation. However, the complexity of the transformations and data structures can create wildly different…

We characterize the mass bandwidth of the a multi-reflection time-of-flight mass spectrograph, showing both the functional and useful mass bandwidth. We then demonstrate the use of a multi-reflection time-of-flight mass spectrograph to…

Since its launch in 2008, the Fermi Large Area Telescope (LAT) allowed us to peek into the extremely energetic side of the Universe with unprecedented sensitivity and resolution. The tools available for analyzing Fermi-LAT data are the…

Medical imaging segmentation is a highly active area of research, with deep learning-based methods achieving state-of-the-art results in several benchmarks. However, the lack of standardized tools for training, testing, and evaluating new…

MadDM is an automated numerical tool for the computation of dark-matter observables for generic new physics models. We announce version 3.1 and summarize its features. Notably, the code goes beyond the mere cross-section computation for…

The task of multimodal cancer detection is to determine the locations and categories of lesions by using different imaging techniques, which is one of the key research methods for cancer diagnosis. Recently, deep learning-based object…

Binding free energies are a key element in understanding and predicting the strength of protein--drug interactions. While classical free energy simulations yield good results for many purely organic ligands, drugs including transition metal…

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.…

Infrared vibrational spectroscopy in the gas phase has emerged as a powerful tool to determine complex molecular structures with Angstrom accuracy. Among the different approaches IRMPD (InfraRed Multiple Photon Dissociation), which requires…

Integrating multiple observational studies for meta-analysis has sparked much interest. The presented R package WMAP (Weighted Meta-Analysis with Pseudo-Population) addresses a critical gap in the implementation of integrative weighting…