AIMC Topic: Environmental Pollutants

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Environmental toxicity risk evaluation of nitroaromatic compounds: Machine learning driven binary/multiple classification and design of safe alternatives.

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
Nitroaromatic compounds (NACs) represent a significant source of organic pollutants in the environment. In this study, a well-rounded dataset containing 371 NACs with rat oral median lethal doses (LD) was developed. Based on the dataset, binary and m...

Investigation of intra - event variations of total, dissolved and truly dissolved metal concentrations in highway runoff and a gross pollutant trap - bioretention stormwater treatment train.

Water research
Metals in stormwater can be toxic to organisms, particularly when occurring in truly dissolved form (fraction <3 kDa). Here, using 153 samples collected during six rains, we investigated intra-events variations of total, dissolved and truly dissolved...

Pollutant specific optimal deep learning and statistical model building for air quality forecasting.

Environmental pollution (Barking, Essex : 1987)
Poor air quality is becoming a critical environmental concern in different countries over the last several years. Most of the air pollutants have serious consequences on human health and wellbeing. In this context, efficient forecasting of air pollut...

Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry.

Environmental science & technology
It is an important topic in environmental sciences to understand the behavior and toxicology of chemical pollutants. Quantum chemical methodologies have served as useful tools for probing behavior and toxicology of chemical pollutants in recent decad...

Occurrence and concentration of 20-100 μm sized microplastic in highway runoff and its removal in a gross pollutant trap - Bioretention and sand filter stormwater treatment train.

The Science of the total environment
Microplastic pollution of stormwater can be a serious threat to the environment. Gross pollutant trap (GPT) - bioretention treatment trains have been shown previously to treat (inter alia) particulate stormwater pollutants including microplastic part...

Predicting cytotoxicity of binary pollutants towards a human cell panel in environmental water by experimentation and deep learning methods.

Chemosphere
Biological assays are useful in water quality evaluation by providing the overall toxicity of chemical mixtures in environmental waters. However, it is impossible to elucidate the source of toxicity and some lethal combination of pollutants simply us...

Systematic Identification of Molecular Targets and Pathways Related to Human Organ Level Toxicity.

Chemical research in toxicology
The mechanisms leading to organ level toxicities are poorly understood. In this study, we applied an integrated approach to deduce the molecular targets and biological pathways involved in chemically induced toxicity for eight common human organ leve...

Identification of Potential PBT/POP-Like Chemicals by a Deep Learning Approach Based on 2D Structural Features.

Environmental science & technology
Identifying potential persistent organic pollutants (POPs) and persistent, bioaccumulative, and toxic (PBT) substances from industrial chemical inventories are essential for chemical risk assessment, management, and pollution control. Inspired by the...

Development of a QSAR model to predict hepatic steatosis using freely available machine learning tools.

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
There are various types of hepatic steatosis of which non-alcoholic fatty liver disease, which may be caused by exposure to chemicals and environmental pollutants is the most prevalent, representing a potential major health risk. QSAR modelling has t...

Supervised machine learning for source allocation of per- and polyfluoroalkyl substances (PFAS) in environmental samples.

Chemosphere
Environmental contamination by per- and polyfluoroalkyl substances (PFAS) is widespread, because of both their decades of use, and their persistence in the environment. These factors can make identification of the source of contamination in samples a...