AIMC Topic: Toxicity Tests

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An in vitro assay and artificial intelligence approach to determine rate constants of nanomaterial-cell interactions.

Scientific reports
In vitro assays and simulation technologies are powerful methodologies that can inform scientists of nanomaterial (NM) distribution and fate in humans or pre-clinical species. For small molecules, less animal data is often needed because there are a ...

Machine learning for mixture toxicity analysis based on high-throughput printing technology.

Talanta
Analysis on mixture toxicity (Mix-tox) of the multi-chemical space is constantly followed with interest for many researchers. Conventional toxicity tests with time-consuming and costly operations make researchers can only establish some toxicity pred...

Artificial Intelligence for Drug Toxicity and Safety.

Trends in pharmacological sciences
Interventional pharmacology is one of medicine's most potent weapons against disease. These drugs, however, can result in damaging side effects and must be closely monitored. Pharmacovigilance is the field of science that monitors, detects, and preve...

Development of Adverse Outcome Pathway for PPARγ Antagonism Leading to Pulmonary Fibrosis and Chemical Selection for Its Validation: ToxCast Database and a Deep Learning Artificial Neural Network Model-Based Approach.

Chemical research in toxicology
Exposure to certain chemicals such as disinfectants through inhalation is suspected to be involved in the development of pulmonary fibrosis, a lung disease in which lung tissue becomes damaged and scarred. Pulmonary fibrosis is known to be regulated ...

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
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...

Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and Mechanism-Driven Modeling for Chemical Toxicity.

Chemical research in toxicology
In 2016, the Frank R. Lautenberg Chemical Safety for the 21st Century Act became the first US legislation to advance chemical safety evaluations by utilizing novel testing approaches that reduce the testing of vertebrate animals. Central to this miss...

Deep learning for predicting toxicity of chemicals: a mini review.

Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews
Humans and wildlife inhabit a world with panoply of natural and synthetic chemicals. Alarmingly, only a limited number of chemicals have undergone comprehensive toxicological evaluation due to limitations of traditional toxicity testing. High-through...

A review on machine learning methods for in silico toxicity prediction.

Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews
In silico toxicity prediction plays an important role in the regulatory decision making and selection of leads in drug design as in vitro/vivo methods are often limited by ethics, time, budget, and other resources. Many computational methods have bee...

Machine learning models for predicting endocrine disruption potential of environmental chemicals.

Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews
We introduce here ML4Tox, a framework offering Deep Learning and Support Vector Machine models to predict agonist, antagonist, and binding activities of chemical compounds, in this case for the estrogen receptor ligand-binding domain. The ML4Tox mode...

G-Networks to Predict the Outcome of Sensing of Toxicity.

Sensors (Basel, Switzerland)
G-Networks and their simplified version known as the Random Neural Network have often been used to classify data. In this paper, we present a use of the Random Neural Network to the early detection of potential of toxicity chemical compounds through ...