AIMC Topic: Mutagens

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Selective cytotoxic and genotoxic activities of 5-(2-bromo-5-methoxybenzylidene)-thiazolidine-2,4-dione against NCI-H292 human lung carcinoma cells.

Pharmacological reports : PR Nov 22, 2017
BACKGROUND: Thiazolidine-2,4-dione ring system is used as a pharmacophore to build various heterocyclic compounds aimed to interact with biological targets. In the present study, benzylidene-2,4-thiazolidinedione derivatives (compounds 2-5) were synt...
K562 Cells MCF-7 Cells DNA Fragmentation Thiazolidinediones Cytotoxins Cell Line, Tumor Comet Assay Mutagens Lung Neoplasms HL-60 Cells Apoptosis Humans Leukocytes, Mononuclear Antineoplastic Agents
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Evaluation of genotoxic effects in Brazilian agricultural workers exposed to pesticides and cigarette smoke using machine-learning algorithms.

Environmental science and pollution research international Oct 30, 2017
Monitoring exposure to xenobiotics by biomarker analyses, such as a micronucleus assay, is extremely important for the precocious detection and prevention of diseases, such as oral cancer. The aim of this study was to evaluate genotoxic effects in ru...
Brazil Young Adult Mutagens Pesticides Occupational Exposure Farmers Adult Smoking Humans DNA Damage Male Machine Learning Female
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Distinguishing between expert and statistical systems for application under ICH M7.

Regulatory toxicology and pharmacology : RTP Jan 3, 2017
Models, Statistical Data Interpretation, Statistical Molecular Structure Reproducibility of Results Animals Risk Assessment Drug Contamination Mutagenicity Tests Policy Making Drug and Narcotic Control Expert Systems Mutagens Quantitative Structure-Activity Relationship Humans Patient Safety Computer Simulation
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A knowledge-based expert rule system for predicting mutagenicity (Ames test) of aromatic amines and azo compounds.

Toxicology Sep 16, 2016
Cancer is one of the main causes of death in Western countries, and a major issue for human health. Prolonged exposure to a number of chemicals was observed to be one of the primary causes of cancer in occupationally exposed persons. Thus, the develo...
Mutagens Mutagenicity Tests Amines Molecular Structure Knowledge Bases Azo Compounds Humans Databases, Factual Models, Theoretical
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Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: A case study using aromatic amine mutagenicity.

Regulatory toxicology and pharmacology : RTP Feb 13, 2016
Statistical-based and expert rule-based models built using public domain mutagenicity knowledge and data are routinely used for computational (Q)SAR assessments of pharmaceutical impurities in line with the approach recommended in the ICH M7 guidelin...
Humans Databases, Factual Data Mining Pattern Recognition, Automated Mutagens Models, Molecular Mutagenicity Tests Molecular Structure Computer Simulation Amines Knowledge Bases Quantitative Structure-Activity Relationship Animals Mutagenesis Risk Assessment
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Genotoxic mode of action predictions from a multiplexed flow cytometric assay and a machine learning approach.

Environmental and molecular mutagenesis Jan 13, 2016
Several endpoints associated with cellular responses to DNA damage as well as overt cytotoxicity were multiplexed into a miniaturized, "add and read" type flow cytometric assay. Reagents included a detergent to liberate nuclei, RNase and propidium io...
Mutagens Mutagenicity Tests Histones Aneugens DNA Damage Flow Cytometry Tumor Suppressor Protein p53 Biomarkers Humans Reproducibility of Results Machine Learning Algorithms Cell Line Automation, Laboratory
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(Q)SAR assessments of potentially mutagenic impurities: a regulatory perspective on the utility of expert knowledge and data submission.

Regulatory toxicology and pharmacology : RTP Dec 26, 2014
(Quantitative) structure activity relationship [(Q)SAR] modeling is the primary tool used to evaluate the mutagenic potential associated with drug impurities. General recommendations regarding the use of (Q)SAR in regulatory decision making have rece...
Databases, Factual Expert Systems Mutagens Humans Quantitative Structure-Activity Relationship Drug Contamination Mutagenicity Tests
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AmesFormer: State-of-the-Art Mutagenicity Prediction with Graph Transformers.

Chemical research in toxicology Jul 21, 2025
The Ames mutagenicity test is a gold standard assay for the safety assessment of new chemicals. However, many in silico models rely on challenging-to-interpret ensemble strategies and molecular fingerprint data, which neglects gestalt molecular struc...
Neural Networks, Computer Machine Learning Mutagens Mutagenicity Tests Humans
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Development of Machine Learning-Based Models for Mutagenicity Predictions with Applications to Non-Sugar Sweeteners.

Molecular informatics Jun 1, 2025
Artificial sweeteners, often known as non-sugar sweeteners (NSSs), have been utilized as food additives since World War II. However, there is also concern regarding the mutagenicity potential of NSSs. Every new chemical registration in the food and p...
Machine Learning Mutagens Mutagenicity Tests Sweetening Agents
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Optimizing machine-learning models for mutagenicity prediction through better feature selection.

Mutagenesis Oct 26, 2022
Assessing a compound's mutagenicity using machine learning is an important activity in the drug discovery and development process. Traditional methods of mutagenicity detection, such as Ames test, are expensive and time and labor intensive. In this c...
Mutagenesis Neural Networks, Computer Machine Learning Mutagens
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