AIMC Topic: Toxicity Tests

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ProTox 3.0: a webserver for the prediction of toxicity of chemicals.

Nucleic acids research Jul 5, 2024
Interaction with chemicals, present in drugs, food, environments, and consumer goods, is an integral part of our everyday life. However, depending on the amount and duration, such interactions can also result in adverse effects. With the increase in ...
Humans Internet Machine Learning Toxicity Tests Software Computer Simulation
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[Computational toxicology in drug safety research].

Nihon yakurigaku zasshi. Folia pharmacologica Japonica Jan 1, 2023
The progress of computational toxicology (CompTox) in drug safety research is highly anticipated. CompTox provides toxicity screening methods for drug discovery in the early stages. CompTox also contributes to fostering the application of the princip...
Drug Discovery Toxicity Tests Artificial Intelligence
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[AI-based QSAR Modeling for Prediction of Active Compounds in MIE/AOP].

Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan Jan 1, 2020
Toxicity testing is critical for new drug and chemical development process. A clinical study, experimental animal models, and in vitro study are performed to evaluate the safety of a new drug. The limitations of these methods include extensive time f...
Artificial Intelligence Computer Simulation Toxicity Tests Animal Testing Alternatives Adverse Outcome Pathways Models, Animal Quantitative Structure-Activity Relationship Animals Drug-Related Side Effects and Adverse Reactions
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Assessing Deep and Shallow Learning Methods for Quantitative Prediction of Acute Chemical Toxicity.

Toxicological sciences : an official journal of the Society of Toxicology Aug 1, 2018
Animal-based methods for assessing chemical toxicity are struggling to meet testing demands. In silico approaches, including machine-learning methods, are promising alternatives. Recently, deep neural networks (DNNs) were evaluated and reported to ou...
Rabbits Datasets as Topic Computational Biology Rats Quantitative Structure-Activity Relationship Toxicity Tests Machine Learning Animals Deep Learning Mice Neural Networks, Computer
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[Construction of a High-precision Chemical Prediction System Using Human ESCs].

Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan Jan 1, 2018
　Toxicity prediction based on stem cells and tissue derived from stem cells plays a very important role in the fields of biomedicine and pharmacology. Here we report on qRT-PCR data obtained by exposing 20 compounds to human embryonic stem (ES) cells...
Permethrin Neurotoxins Quantitative Structure-Activity Relationship Toxicity Tests Carcinogens Phenols Humans Embryonic Stem Cells Benzhydryl Compounds Support Vector Machine
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Prediction of the aquatic toxicity of aromatic compounds to tetrahymena pyriformis through support vector regression.

Oncotarget Jul 25, 2017
Toxicity evaluation is an extremely important process during drug development. It is usually initiated by experiments on animals, which is time-consuming and costly. To speed up such a process, a quantitative structure-activity relationship (QSAR) st...
Quantitative Structure-Activity Relationship Toxicity Tests Hydrocarbons, Aromatic Tetrahymena pyriformis Reproducibility of Results Support Vector Machine Algorithms
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Development of QSAR models using artificial neural network analysis for risk assessment of repeated-dose, reproductive, and developmental toxicities of cosmetic ingredients.

The Journal of toxicological sciences Apr 1, 2015
Use of laboratory animals for systemic toxicity testing is subject to strong ethical and regulatory constraints, but few alternatives are yet available. One possible approach to predict systemic toxicity of chemicals in the absence of experimental da...
Rats Reproduction Male Risk Assessment Neural Networks, Computer Quantitative Structure-Activity Relationship Female Toxicity Tests Animals Cosmetics No-Observed-Adverse-Effect Level
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[Application of support vector machine approach in studying nephron toxicity of Chinese medicinal materials].

Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica Mar 1, 2015
On the basis of web databases, 111 compounds with nephrotoxicity and 90 compounds without nephrotoxicity were collected as data set of nephrotoxicity discrimination model, 39 compounds with tubular necrosis and 39 compounds without tubular necrosis w...
Nephrons Drugs, Chinese Herbal Support Vector Machine Toxicity Tests
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