AIMC Topic: Toxicology

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Report of the First ONTOX Hackathon: Hack to Save Lives and Avoid Animal Suffering. The Use of Artificial Intelligence in Toxicology - A Potential Driver for Reducing/Replacing Laboratory Animals in the Future.

Alternatives to laboratory animals : ATLA
The first ONTOX Hackathon of the EU Horizon 2020-funded ONTOX project was held on 21-23 April 2024 in Utrecht, The Netherlands (https://ontox-project.eu/hackathon/). This participatory event aimed to collectively advance innovation for human safety t...

Predictive, integrative, and regulatory aspects of AI-driven computational toxicology - Highlights of the German Pharm-Tox Summit (GPTS) 2024.

Toxicology
The 9th German Pharm-Tox Summit (GPTS) and the 90th Annual Meeting of the German Society for Experimental and Clinical Pharmacology and Toxicology (DGPT) took place in Munich from March 13-15, 2024. The event brought together over 700 participants fr...

Unlocking the Potential of Clustering and Classification Approaches: Navigating Supervised and Unsupervised Chemical Similarity.

Environmental health perspectives
BACKGROUND: The field of toxicology has witnessed substantial advancements in recent years, particularly with the adoption of new approach methodologies (NAMs) to understand and predict chemical toxicity. Class-based methods such as clustering and cl...

Preface to the special issue of Food and Chemical Toxicology on "New approach methodologies and machine learning in food safety and chemical risk assessment: Development of reproducible, open-source, and user-friendly tools for exposure, toxicokinetic, and toxicity assessments in the 21st century".

Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
This Special Issue contains articles on applications of various new approach methodologies (NAMs) in the field of toxicology and risk assessment. These NAMs include in vitro high-throughput screening, quantitative structure-activity relationship (QSA...

The probable future of toxicology - probabilistic risk assessment.

ALTEX
Both because of the shortcomings of existing risk assessment methodologies, as well as newly available tools to predict hazard and risk with machine learning approaches, there has been an emerging emphasis on probabilistic risk assessment. Increasing...

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...

Advancing Computational Toxicology by Interpretable Machine Learning.

Environmental science & technology
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 ...

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...

Leveraging high-throughput screening data, deep neural networks, and conditional generative adversarial networks to advance predictive toxicology.

PLoS computational biology
There are currently 85,000 chemicals registered with the Environmental Protection Agency (EPA) under the Toxic Substances Control Act, but only a small fraction have measured toxicological data. To address this gap, high-throughput screening (HTS) an...