AIMC Topic: Toxicity Tests, Acute

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In Silico Prediction of Oral Acute Rodent Toxicity Using Consensus Machine Learning.

Journal of chemical information and modeling
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
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...

Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes.

Chemical research in toxicology
Quantitative structure-activity relationships (QSAR) are introduced to predict acute oral toxicity (AOT), by using the QuBiLS-MAS (acronym for quadratic, bilinear and N-Linear maps based on graph-theoretic electronic-density matrices and atomic weigh...

Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space.

Journal of chemical information and modeling
Acute toxicity is one of the most challenging properties to predict purely with computational methods due to its direct relationship to biological interactions. Moreover, toxicity can be represented by different end points: it can be measured for dif...

A new cyclic lipopeptide isolated from Bacillus amyloliquefaciens HAB-2 and safety evaluation.

Pesticide biochemistry and physiology
Bacillus is the most widely studied biocontrol agent and has been extensively used in the development of biopesticides and fungicides. In this study, a new cyclic lipopeptide was isolated from Bacillus amyloliquefaciens HAB-2 by column chromatography...

Profiling mechanisms that drive acute oral toxicity in mammals and its prediction via machine learning.

Toxicological sciences : an official journal of the Society of Toxicology
We present a mechanistic machine-learning quantitative structure-activity relationship (QSAR) model to predict mammalian acute oral toxicity. We trained our model using a rat acute toxicity database compiled by the US National Toxicology Program. We ...

Prediction of acute toxicity of emerging contaminants on the water flea Daphnia magna by Ant Colony Optimization-Support Vector Machine QSTR models.

Environmental science. Processes & impacts
According to the European REACH Directive, the acute toxicity towards Daphnia magna should be assessed for any industrial chemical with a market volume of more than 1 t/a. Therefore, it is highly recommended to determine the toxicity at a certain con...