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The prediction of acute toxicity (LD50) for organophosphorus-based . . . One of the most intriguing and problematic chemical classes is organophosphorus chemical warfare agents (OP-CWAs), a distinct class of synthetic compounds recognised for their exceptionally high toxicity, surpassing that of various other chemical substances (Kloske and Witkiewicz 2019)
Toxicokinetics and organ-specific toxicity - ScienceDirect Few QSAR models can predict the acute toxicity of chemicals in rat models (Ballabio et al , 2019; Lunghini et al , 2019) These models make use of the LD 50 values obtained from databases QSAR is successfully used in ecotoxicology to accurately predict the toxic effects of numerous chemicals
CATMoS: Collaborative Acute Toxicity Modeling Suite - OSTI. GOV Results: The resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS) CATMoS demonstrated high performance in terms of accuracy and robustness when compared to in vivo results
Artificial Intelligence, Machine Learning, and Deep Learning in Real . . . In 2019, Sosnin et al [139] conducted a comparative study for the prediction of acute oral toxicity for different species and different modes of administration In this article, traditional ML methods, STNN, and MTNN were constructed with the use of many different types of descriptors
Review of machine learning and deep learning models for toxicity . . . We examine current machine learning and deep learning models for toxicity prediction from common toxicities, machine learning algorithms, and datasets We also discuss the efforts that are crucial to improving the performance of toxicity prediction models in the future
The QSAR Toolbox automated read-across workflow for . . . - ScienceDirect The predicted LD50 values are similar in four situations, while for two chemicals, the predicted LD50 values are dissimilar In rounding out this analysis, for two substances, no comparison was possible because the automated workflow failed to identify a source analogue
The acute toxicity of Novichoks degradation products using . . . Recognised as the most reliable estimate by TEST, this method effectively combines insights from hierarchical, FDA, and nearest-neighbour approaches, providing a robust and well-rounded toxicity assessment (Lunghini et al 2019)
Comparing LD50 LC50 Machine Learning Models for Multiple Species The lethal dose or concentration which kills 50% of the animals (LD50 or LC50) is an important parameter for scientists to understand the toxicity of chemicals in different scenarios that can be used to make go-no-go decisions, and ultimately assist