AIMC Topic: Toxicity Tests

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Bringing Artificial Intelligence (AI) into Environmental Toxicology Studies: A Perspective of AI-Enabled Zebrafish High-Throughput Screening.

Environmental science & technology
The booming development of artificial intelligence (AI) has brought excitement to many research fields that could benefit from its big data analysis capability for causative relationship establishment and knowledge generation. In toxicology studies u...

Hybrid non-animal modeling: A mechanistic approach to predict chemical hepatotoxicity.

Journal of hazardous materials
Developing mechanistic non-animal testing methods based on the adverse outcome pathway (AOP) framework must incorporate molecular and cellular key events associated with target toxicity. Using data from an in vitro assay and chemical structures, we a...

ToxMPNN: A deep learning model for small molecule toxicity prediction.

Journal of applied toxicology : JAT
Machine learning (ML) has shown a great promise in predicting toxicity of small molecules. However, the availability of data for such predictions is often limited. Because of the unsatisfactory performance of models trained on a single toxicity endpo...

Report of the First ONTOX Stakeholder Network Meeting: Digging Under the Surface of ONTOX Together With the Stakeholders.

Alternatives to laboratory animals : ATLA
The first Stakeholder Network Meeting of the EU Horizon 2020-funded ONTOX project was held on 13-14 March 2023, in Brussels, Belgium. The discussion centred around identifying specific challenges, barriers and drivers in relation to the implementatio...

Where developmental toxicity meets explainable artificial intelligence: state-of-the-art and perspectives.

Expert opinion on drug metabolism & toxicology
INTRODUCTION: The application of Artificial Intelligence (AI) to predictive toxicology is rapidly increasing, particularly aiming to develop non-testing methods that effectively address ethical concerns and reduce economic costs. In this context, Dev...

New approach methodologies in human regulatory toxicology - Not if, but how and when!

Environment international
The predominantly animal-centric approach of chemical safety assessment has increasingly come under pressure. Society is questioning overall performance, sustainability, continued relevance for human health risk assessment and ethics of this system, ...

Effects of Class Imbalance and Data Scarcity on the Performance of Binary Classification Machine Learning Models Developed Based on ToxCast/Tox21 Assay Data.

Chemical research in toxicology
The development of toxicity classification models using the ToxCast database has been extensively studied. Machine learning approaches are effective in identifying the bioactivity of untested chemicals. However, ToxCast assays differ in the amount of...

Raster plots machine learning to predict the seizure liability of drugs and to identify drugs.

Scientific reports
In vitro microelectrode array (MEA) assessment using human induced pluripotent stem cell (iPSC)-derived neurons holds promise as a method of seizure and toxicity evaluation. However, there are still issues surrounding the analysis methods used to pre...

Prediction Models for Agonists and Antagonists of Molecular Initiation Events for Toxicity Pathways Using an Improved Deep-Learning-Based Quantitative Structure-Activity Relationship System.

International journal of molecular sciences
In silico approaches have been studied intensively to assess the toxicological risk of various chemical compounds as alternatives to traditional in vivo animal tests. Among these approaches, quantitative structure-activity relationship (QSAR) analysi...

Emerging Technologies for In Vitro Inhalation Toxicology.

Advanced healthcare materials
Respiratory toxicology remains a major research area in the 21st century since current scenario of airborne viral infection transmission and pollutant inhalation is expected to raise the annual morbidity beyond 2 million. Clinical and epidemiological...