In this study, count-based Morgan fingerprints (CMF) were employed to represent the fundamental chemical structures of contaminants, and a neural network model (R² = 0.76) was developed to predict acute fish toxicity (AFT) of organic compounds. Model...
Food research international (Ottawa, Ont.)
Feb 26, 2025
Oleogelators are considered food additives that require approval from regulatory authorities. Therefore, classifying these ingredients that may have characteristics (e.g., waxiness), cost and origin (e.g., animal or vegetable) is crucial to ensure co...
Environmental science. Processes & impacts
Jan 22, 2025
The nano-self-assembly of natural organic matter (NOM) profoundly influences the occurrence and fate of NOM and pollutants in large-scale complex environments. Machine learning (ML) offers a promising and robust tool for interpreting and predicting t...
Frontiers in cellular and infection microbiology
Jan 21, 2025
INTRODUCTION: Accurately assessing biofilm viability is essential for evaluating both biofilm formation and the efficacy of antibacterial treatments. Traditional SYTO9 and propidium iodide (PI) live/dead staining in biofilm viability assays often ace...
Machine learning (ML) is expected to bring new insights into the impact of organic structures on the reaction mechanisms in reactive oxygen species oxidation. However, understanding the underlying chemical mechanisms still faces challenges due to the...
The biogeochemical processes of organic matter exhibit notable variability and unpredictability in marginal seas. In this study, the abiologically and biologically driving effects on particulate organic matter (POM) and dissolved organic matter (DOM)...
Dissolved organic matter (DOM) present in surface aquatic systems is a heterogeneous mixture of organic compounds reflecting its allochthonous and autochthonous organic matter (OM) sources. The composition of DOM is determined by environmental factor...
Journal of the American Society for Mass Spectrometry
Dec 19, 2024
The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mix...
Endocrine-disrupting chemicals (EDCs) pollution is a major global environmental issue. Assessing the multiple toxic effects of EDCs is key to managing their risks. This study successfully developed an EDCs classification and recognition model based o...
Neurotoxicity is frequently observed in the global aquatic environment, threatening aquatic ecosystems and human health. However, a very limited proportion of neurotoxic effects (∼1%) has been explained by known chemicals of concern. Here, we integra...
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