AIMC Topic: Hazardous Substances
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Advancing Computational Toxicology by Interpretable Machine Learning.
Environmental science & technology
May 24, 2023
Chemical toxicity evaluations for drugs, consumer products, and environmental chemicals have a critical impact on human health. Traditional animal models to evaluate chemical toxicity are expensive, time-consuming, and often fail to detect toxicants ...
Application of a developed triple-classification machine learning model for carcinogenic prediction of hazardous organic chemicals to the US, EU, and WHO based on Chinese database.
Ecotoxicology and environmental safety
Mar 20, 2023
Cancer, the second largest human disease, has become a major public health problem. The prediction of chemicals' carcinogenicity before their synthesis is crucial. In this paper, seven machine learning algorithms (i.e., Random Forest (RF), Logistic R...
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
Oct 12, 2022
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...
Machine learning in the identification, prediction and exploration of environmental toxicology: Challenges and perspectives.
Journal of hazardous materials
Jun 27, 2022
Over the past few decades, data-driven machine learning (ML) has distinguished itself from hypothesis-driven studies and has recently received much attention in environmental toxicology. However, the use of ML in environmental toxicology remains in t...
Critical features identification for chemical chronic toxicity based on mechanistic forecast models.
Environmental pollution (Barking, Essex : 1987)
Jun 7, 2022
Facing billions of tons of pollutants entering the ocean each year, aquatic toxicity is becoming a crucial endpoint for evaluating chemical adverse effects on ecosystems. Notably, huge amount of toxic chemicals at environmental relevant doses can cau...
Identification of Autistic Risk Candidate Genes and Toxic Chemicals via Multilabel Learning.
IEEE transactions on neural networks and learning systems
Aug 31, 2021
As a group of complex neurodevelopmental disorders, autism spectrum disorder (ASD) has been reported to have a high overall prevalence, showing an unprecedented spurt since 2000. Due to the unclear pathomechanism of ASD, it is challenging to diagnose...
Multi-label classification and label dependence in in silico toxicity prediction.
Toxicology in vitro : an international journal published in association with BIBRA
Apr 9, 2021
Most computational predictive models are specifically trained for a single toxicity endpoint and lack the ability to learn dependencies between endpoints, such as those targeting similar biological pathways. In this study, we compare the performance ...
Pythagorean fuzzy AHP based risk assessment methodology for hazardous material transportation: an application in Istanbul.
Environmental science and pollution research international
Mar 6, 2021
Environment and social life are open to hazards, because of the distribution, diffusion, and conversion processes of chemicals contained in hazardous materials. These chemicals are very dangerous. Various precautions should be taken into consideratio...
Single spectral imagery and faster R-CNN to identify hazardous and noxious substances spills.
Environmental pollution (Barking, Essex : 1987)
Dec 2, 2019
The automatic identification (location, segmentation, and classification) by UAV- based optical imaging of spills of transparent floating Hazardous and Noxious Substances (HNS) benefits the on-site response to spill incidents, but it is also challeng...
A mode-of-action ontology model for safety evaluation of chemicals: Outcome of a series of workshops on repeated dose toxicity.
Toxicology in vitro : an international journal published in association with BIBRA
Apr 4, 2019
Repeated dose toxicity evaluation aims at assessing the occurrence of adverse effects following chronic or repeated exposure to chemicals. Non-animal approaches have gained importance in the last decades because of ethical considerations as well as d...
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