[HTML][HTML] Single-cell metabolomics: where are we and where are we going?

I Lanekoff, VV Sharma, C Marques - Current opinion in biotechnology, 2022 - Elsevier
Single-cell metabolomics with mass spectrometry enables a large variety of metabolites to
be simultaneously detected from individual cells, without any preselection or labelling, to …

Deep learning in spectral analysis: Modeling and imaging

X Liu, H An, W Cai, X Shao - TrAC Trends in Analytical Chemistry, 2024 - Elsevier
Deep learning (DL) is powerful to find patterns or hidden information from data using neural
networks. With the growth of data and computing capabilities, DL has rapidly advanced and …

Image-guided MALDI mass spectrometry for high-throughput single-organelle characterization

DC Castro, YR Xie, SS Rubakhin, EV Romanova… - Nature …, 2021 - nature.com
Peptidergic dense-core vesicles are involved in packaging and releasing neuropeptides
and peptide hormones—critical processes underlying brain, endocrine and exocrine …

Fully automated unconstrained analysis of high-resolution mass spectrometry data with machine learning

DA Boiko, KS Kozlov, JV Burykina… - Journal of the …, 2022 - ACS Publications
Mass spectrometry (MS) is a convenient, highly sensitive, and reliable method for the
analysis of complex mixtures, which is vital for materials science, life sciences fields such as …

Interpretable heartbeat classification using local model-agnostic explanations on ECGs

I Neves, D Folgado, S Santos, M Barandas… - Computers in Biology …, 2021 - Elsevier
Abstract Treatment and prevention of cardiovascular diseases often rely on
Electrocardiogram (ECG) interpretation. Dependent on the physician's variability, ECG …

Developing machine learning approaches to identify candidate persistent, mobile and toxic (PMT) and very persistent and very mobile (vPvM) substances based on …

M Han, B Jin, J Liang, C Huang, HPH Arp - Water Research, 2023 - Elsevier
Determining which substances on the global market could be classified as persistent, mobile
and toxic (PMT) substances or very persistent, very mobile (vPvM) substances is essential to …

AI/ML-driven advances in untargeted metabolomics and exposomics for biomedical applications

LM Petrick, N Shomron - Cell Reports Physical Science, 2022 - cell.com
Metabolomics describes a high-throughput approach for measuring a repertoire of
metabolites and small molecules in biological samples. One utility of untargeted …

Does institutional quality affect CO2 emissions? Evidence from explainable artificial intelligence models

N Stef, H Başağaoğlu, D Chakraborty, SB Jabeur - Energy Economics, 2023 - Elsevier
Although the debate regarding the impact of high-quality institutional measures to address
climate change associated with global carbon dioxide (CO 2) emissions has gained …

Advanced mass spectrometric and spectroscopic methods coupled with machine learning for in vitro diagnosis

X Chen, W Shu, L Zhao, J Wan - View, 2023 - Wiley Online Library
In vitro diagnosis (IVD) is one vital component of medical tests that detects biological
samples of tissues or bio‐fluids. Recently, mass spectrometry and spectroscopy have been …

Bridging the Gap between Differential Mobility, Log S, and Log P Using Machine Learning and SHAP Analysis

CMK Stienstra, C Ieritano, A Haack… - Analytical …, 2023 - ACS Publications
Aqueous solubility, log S, and the water–octanol partition coefficient, log P, are
physicochemical properties that are used to screen the viability of drug candidates and to …