This research delves into olfaction, a sensory modality that remains complex and inadequately understood. We aim to fill in two gaps in recent studies that attempted to use machine learning and deep learning approaches to predict human smell percepti...
Combinatorial chemistry & high throughput screening
Jan 1, 2025
AIMS: Employing the technique of liquid chromatography-mass spectrometry (LCMS) in conjunction with artificial intelligence (AI) technology to predict and screen for antirheumatoid arthritis (RA) active compounds in Xanthocerais lignum.
MOTIVATION: Accurate quantitative information about protein abundance is crucial for understanding a biological system and its dynamics. Protein abundance is commonly estimated using label-free, bottom-up mass spectrometry (MS) protocols. Here, prote...
Understanding fungal lipid biology and metabolism is critical for antifungal target discovery as lipids play central roles in cellular processes. Nuances in lipid structural differences can significantly impact their functions, making it necessary to...
Rapid communications in mass spectrometry : RCM
Aug 30, 2024
BACKGROUND: Natural medicines present a considerable analytical challenge due to their diverse botanical origins and complex multi-species composition. This inherent complexity complicates their rapid identification and analysis. Tangerine peel, a pr...
Se pu = Chinese journal of chromatography
Jul 1, 2024
Mass spectrometry imaging (MSI) is a promising method for characterizing the spatial distribution of compounds. Given the diversified development of acquisition methods and continuous improvements in the sensitivity of this technology, both the total...
While automated peak detection functionalities are available in commercially accessible software, achieving optimal true positive rates frequently necessitates visual inspection and manual adjustments. In the initial phase of this study, hetero-varia...
SUMMARY: Python is the most commonly used language for deep learning (DL). Existing Python packages for mass spectrometry imaging (MSI) data are not optimized for DL tasks. We, therefore, introduce pyM2aia, a Python package for MSI data analysis with...
Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
Jan 1, 2024
Multilayer laminated films are widely used as food packaging materials. The substances contained in these films have the potential to migrate into food in contact, but the actual situation is unknown. In this study, we first determined the contents o...
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