定量方法
In molecular discovery and drug design, structure-property relationships and activity landscapes are often qualitatively or quantitatively analyzed to guide the navigation of chemical space. The roughness (or smoothness) of these molecular…
Modern epidemiological analyses to understand and combat the spread of disease depend critically on access to, and use of, data. Rapidly evolving data, such as data streams changing during a disease outbreak, are particularly challenging.…
Advanced volumetric imaging methods and genetically encoded activity indicators have permitted a comprehensive characterization of whole brain activity at single neuron resolution in \textit{Caenorhabditis elegans}. The constant motion and…
In April 2022, the Vistamilk SFI Research Centre organized the second edition of the "International Workshop on Spectroscopy and Chemometrics - Applications in Food and Agriculture". Within this event, a data challenge was organized among…
Sepsis accounts for more than 50% of hospital deaths, and the associated cost ranks the highest among hospital admissions in the US. Improved understanding of disease states, severity, and clinical markers has the potential to significantly…
Active nematics are the nonequilibrium analog of passive liquid crystals in which anisotropic units consume free energy to drive emergent behavior. Similar to liquid crystal (LC) molecules in displays, ordering and dynamics in active…
The microbial community composition in the human gut has a profound effect on human health. This observation has lead to extensive use of microbiome therapies, including over-the-counter ``probiotic" treatments intended to alter the…
Abnormalities in motor-control behavior, which have been with concussion and head acceleration events (HAE), can be quantified using virtual reality (VR) technologies. Motor-control behavior has been consistently mapped to the brain's…
Therapeutic antibody development has become an increasingly popular approach for drug development. To date, antibody therapeutics are largely developed using large scale experimental screens of antibody libraries containing hundreds of…
Urogenital schistosomiasis has been present naturally in the South of Europe since the beginning of the 20 th century and nowadays its presence is also known, at least imported by Sub-Saharan emigrants and tourists, in France, Italy,…
Analysis of single-cell transcriptomics often relies on clustering cells and then performing differential gene expression (DGE) to identify genes that vary between these clusters. These discrete analyses successfully determine cell types…
Objective: Transcranial direct current stimulation (tDCS) is a non-invasive brain stimulation technique used to generate conduction currents in the head and disrupt brain functions. To rapidly evaluate the tDCS-induced current density in…
Purpose: Tumor-associated vasculature differs from healthy blood vessels by its chaotic architecture and twistedness, which promotes treatment resistance. Measurable differences in these attributes may help stratify patients by likely…
This work describes the development and validation of a fully automated deep learning model, iDAScore v2.0, for the evaluation of embryos incubated for 2, 3, and 5 or more days. The model is trained and evaluated on an extensive and diverse…
Biomarker testing is a laboratory test in oncology that is used in the selection of targeted cancer treatments and helping to avoid ineffective treatments. There exist several types of biomarker tests that can be used to detect the presence…
The automated analysis of microscopy images is a challenge in the context of single-cell tracking and quantification. This work has as goals the study of the performance of deep learning for segmenting microscopy images and the improvement…
Mathematical oncology provides unique and invaluable insights into tumour growth on both the microscopic and macroscopic levels. This review presents state-of-the-art modelling techniques and focuses on their role in understanding…
We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a frame-by-frame observation is not feasible anymore. Thus,…
We here propose an automated pipeline for the microscopy image-based characterization of catalytically active inclusion bodies (CatIBs), which includes a fully automatic experimental high-throughput workflow combined with a hybrid approach…
Single-cell RNA sequencing (scRNA-seq) provides a high throughput, quantitative and unbiased framework for scientists in many research fields to identify and characterize cell types within heterogeneous cell populations from various…