AIMC Topic: Environmental Pollutants

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Molecular designing of potential environmentally friendly PFAS based on deep learning and generative models.

The Science of the total environment
Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are widely used across a spectrum of industrial and consumer goods. Nonetheless, their persistent nature and tendency to accumulate in biological systems pose substantial environmental and health t...

Using machine learning to classify the immunosuppressive activity of per- and polyfluoroalkyl substances.

Toxicology mechanisms and methods
Per- and polyfluoroalkyl substances (PFASs), one of the persistent organic pollutants, have immunosuppressive effects. The evaluation of this effect has been the focus of regulatory toxicology. In this investigation, 146 PFASs (immunosuppressive or n...

A comprehensive prediction system for silkworm acute toxicity assessment of environmental and in-silico pesticides.

Ecotoxicology and environmental safety
The excessive application and loss of pesticides poses a great risk to the ecosystem, and the environmental safety assessment of pesticides is time-consuming and expensive using traditional animal toxicity tests. In this work, a pesticide acute toxic...

Advancing toxicity studies of per- and poly-fluoroalkyl substances (pfass) through machine learning: Models, mechanisms, and future directions.

The Science of the total environment
Perfluorinated and perfluoroalkyl substances (PFASs), encompassing a vast array of isomeric chemicals, are recognized as typical emerging contaminants with direct or potential impacts on human health and the ecological environment. With the complex a...

Machine learning predicts the serum PFOA and PFOS levels in pregnant women: Enhancement of fatty acid status on model performance.

Environment international
Human exposure to per- and polyfluoroalkyl substances (PFASs) has received considerable attention, particularly in pregnant women because of their dramatic changes in physiological status and dietary patterns. Predicting internal PFAS exposure in pre...

ARKA: a framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data.

Environmental science. Processes & impacts
Due to the lack of experimental toxicity data for environmental chemicals, there arises a need to fill data gaps by approaches. One of the most commonly used approaches for toxicity assessment of small datasets is the Quantitative Structure-Activit...

Deciphering the environmental chemical basis of muscle quality decline by interpretable machine learning models.

The American journal of clinical nutrition
BACKGROUND: Sarcopenia is known as a decline in skeletal muscle quality and function that is associated with age. Sarcopenia is linked to diverse health problems, including endocrine-related diseases. Environmental chemicals (ECs), a broad class of c...

Identification of biological indicators for human exposure toxicology in smart cities based on public health data and deep learning.

Frontiers in public health
With the acceleration of urbanization, the risk of urban population exposure to environmental pollutants is increasing. Protecting public health is the top priority in the construction of smart cities. The purpose of this study is to propose a method...

Construction of an antidepressant priority list based on functional, environmental, and health risks using an interpretable mixup-transformer deep learning model.

Journal of hazardous materials
As emerging pollutants, antidepressants (AD) must be urgently investigated for risk identification and assessment. This study constructed a comprehensive-effect risk-priority screening system (ADRank) for ADs by characterizing AD functionality, occur...

Immune Regulation Patterns in Response to Environmental Pollutant Chromate Exposure-Related Genetic Damage: A Cross-Sectional Study Applying Machine Learning Methods.

Environmental science & technology
Exposure to hexavalent chromium damages genetic materials like DNA and chromosomes, further elevating cancer risk, yet research rarely focuses on related immunological mechanisms, which play an important role in the occurrence and development of canc...