AIMC Topic: Toxicity Tests, Acute
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ToxACoL: an endpoint-aware and task-focused compound representation learning paradigm for acute toxicity assessment.
Nature communications
Jul 1, 2025
Multi-species acute toxicity assessment forms the basis for chemical classification, labelling and risk management. Existing deep learning methods struggle with diverse experimental conditions, imbalanced data, and scarce target data, hindering their...
Toxicological evaluation of Artocarpus lacucha ethyl acetate extract: in vitro and in vivo assessment.
Journal of ethnopharmacology
Apr 12, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: Artocarpus lacucha Buch. -Ham. (syn. Artocarpus lakoocha) (A. lacucha), is a tropical fruit tree and a member of the Moraceae family. Fruit, bark, foliage, and roots of A. lacucha are broadly utilized in folklore medic...
First report on Quantitative Structure-Toxicity Relationship modeling approaches for the prediction of acute toxicity of various organic chemicals against rotifer species.
The Science of the total environment
Apr 10, 2025
Nowadays, organic chemicals are crucial components in virtually every aspect of daily life, serving as indispensable elements for modern society. The ongoing synthesis of chemicals and the various potential harmful effects on living organisms are pro...
Safety assessment of the ethanolic extract of Siparuna guianensis: Cell viability, molecular risk predictions and toxicity risk for acute and sub-chronic oral ingestion.
Journal of ethnopharmacology
Apr 5, 2025
ETHNOPHARMACOLOGICAL RELEVANCE: The species Siparuna guianensis Aublet (family Siparunaceae) is traditionally used by indigenous peoples and riverine communities in Central and South America to treat migraines, flu, respiratory diseases, fever, pain,...
Explainable machine learning models for predicting the acute toxicity of pesticides to sheepshead minnow (Cyprinodon variegatus).
The Science of the total environment
Nov 16, 2024
A quantitative structure-activity relationship (QSAR) study was conducted on 313 pesticides to predict their acute toxicity to Sheepshead minnow (Cyprinodon variegatus) by using DRAGON descriptors. Essentials accounting for a reliable model were all ...
Using the super-learner to predict the chemical acute toxicity on rats.
Journal of hazardous materials
Oct 28, 2024
With the rapid increase in the number of commercial chemicals, testing methods regarding on median lethal dose (LD) relying animal experiments face challenges such as high costs and ethical concerns. Classical quantitative structure-activity relation...
High-throughput prediction of oral acute toxicity in Rat and Mouse of over 100,000 polychlorinated persistent organic pollutants (PC-POPs) by interpretable data fusion-driven machine learning global models.
Journal of hazardous materials
Oct 28, 2024
This study utilized available oral acute toxicity data in Rat and Mouse for polychlorinated persistent organic pollutants (PC-POPs) to construct data fusion-driven machine learning (ML) global models. Based on atom-centered fragments (ACFs), the coll...
A comprehensive prediction system for silkworm acute toxicity assessment of environmental and in-silico pesticides.
Ecotoxicology and environmental safety
Jul 18, 2024
The excessive application and loss of pesticides poses a great risk to the ecosystem, and the environmental safety assessment of pesticides is time-consuming and expensive using traditional animal toxicity tests. In this work, a pesticide acute toxic...
In Silico Prediction of Oral Acute Rodent Toxicity Using Consensus Machine Learning.
Journal of chemical information and modeling
Mar 18, 2024
Acute oral toxicity (AOT) is required for the classification and labeling of chemicals according to the global harmonized system (GHS). Acute oral toxicity studies are optimized to minimize the use of animals. However, with the advent of the three p...
In silico prediction of chemical acute contact toxicity on honey bees via machine learning methods.
Toxicology in vitro : an international journal published in association with BIBRA
Jan 11, 2021
In recent years, the decline of honey bees and the collapse of bee colonies have caught the attention of ecologists, and the use of pesticides is one of the main reasons for the decline. Therefore, ecological risk assessment of pesticides is essentia...
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