Identification of bioactive metabolites using activity metabolomics

MM Rinschen, J Ivanisevic, M Giera… - Nature reviews Molecular …, 2019 - nature.com
The metabolome, the collection of small-molecule chemical entities involved in metabolism,
has traditionally been studied with the aim of identifying biomarkers in the diagnosis and …

Statistical methods and resources for biomarker discovery using metabolomics

NR Anwardeen, I Diboun, Y Mokrab, AA Althani… - BMC …, 2023 - Springer
Metabolomics is a dynamic tool for elucidating biochemical changes in human health and
disease. Metabolic profiles provide a close insight into physiological states and are highly …

NOREVA: enhanced normalization and evaluation of time-course and multi-class metabolomic data

Q Yang, Y Wang, Y Zhang, F Li, W **a… - Nucleic acids …, 2020 - academic.oup.com
Biological processes (like microbial growth & physiological response) are usually dynamic
and require the monitoring of metabolic variation at different time-points. Moreover, there is …

[HTML][HTML] California's forest carbon offsets buffer pool is severely undercapitalized

G Badgley, F Chay, OS Chegwidden… - Frontiers in Forests …, 2022 - frontiersin.org
California operates a large forest carbon offsets program that credits carbon stored in forests
across the continental United States and parts of coastal Alaska. These credits can be sold …

The machine learning life cycle and the cloud: implications for drug discovery

O Spjuth, J Frid, A Hellander - Expert opinion on drug discovery, 2021 - Taylor & Francis
Introduction: Artificial intelligence (AI) and machine learning (ML) are increasingly used in
many aspects of drug discovery. Larger data sizes and methods such as Deep Neural …

Unraveling the role of cloud computing in health care system and biomedical sciences

S Sachdeva, S Bhatia, A Al Harrasi, YA Shah, K Anwer… - Heliyon, 2024 - cell.com
Cloud computing has emerged as a transformative force in healthcare and biomedical
sciences, offering scalable, on-demand resources for managing vast amounts of data. This …

DeepCell Kiosk: scaling deep learning–enabled cellular image analysis with Kubernetes

D Bannon, E Moen, M Schwartz, E Borba, T Kudo… - Nature …, 2021 - nature.com
Deep learning is transforming the analysis of biological images, but applying these models
to large datasets remains challenging. Here we describe the DeepCell Kiosk, cloud-native …

[HTML][HTML] MassGenie: a transformer-based deep learning method for identifying small molecules from their mass spectra

AD Shrivastava, N Swainston, S Samanta, I Roberts… - Biomolecules, 2021 - mdpi.com
The 'inverse problem'of mass spectrometric molecular identification ('given a mass spectrum,
calculate/predict the 2D structure of the molecule whence it came') is largely unsolved, and …

NMR: unique strengths that enhance modern metabolomics research

AS Edison, M Colonna, GJ Gouveia… - Analytical …, 2020 - ACS Publications
Nuclear magnetic resonance (NMR) spectroscopy is an important analytical technique in
metabolomics. Because it provides atomic-level detail of small molecules, NMR is …

[HTML][HTML] Towards a comprehensive characterisation of the human internal chemical exposome: Challenges and perspectives

A David, J Chaker, EJ Price, V Bessonneau… - Environment …, 2021 - Elsevier
The holistic characterisation of the human internal chemical exposome using high-resolution
mass spectrometry (HRMS) would be a step forward to investigate the environmental …