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...
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...
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
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...
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...
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...
(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...
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...
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...
A graph neural network approach for molecule carcinogenicity prediction.
Bioinformatics (Oxford, England)
Jun 24, 2022
MOTIVATION: Molecular carcinogenicity is a preventable cause of cancer, but systematically identifying carcinogenic compounds, which involves performing experiments on animal models, is expensive, time consuming and low throughput. As a result, carci...
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