AIMC Topic: Endocrine Disruptors

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Knowledge-based machine learning for predicting and understanding the androgen receptor (AR)-mediated reproductive toxicity in zebrafish.

Environment international Sep 2, 2024
Traditional methods for identifying endocrine-disrupting chemicals (EDCs) that activate androgen receptors (AR) are costly, time-consuming, and low-throughput. This study developed a knowledge-based deep neural network model (AR-DNN) to predict AR-me...
Machine Learning Female Animals Reproduction Receptors, Androgen Endocrine Disruptors Water Pollutants, Chemical Zebrafish
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Hepatic toxicity prediction of bisphenol analogs by machine learning strategy.

The Science of the total environment May 21, 2024
Toxicological studies have demonstrated the hepatic toxicity of several bisphenol analogs (BPs), a prevalent type of endocrine disruptor. The development of Adverse Outcome Pathway (AOP) has substantially contributed to the rapid risk assessment for ...
Risk Assessment Endocrine Disruptors Molecular Docking Simulation Adverse Outcome Pathways Phenols Benzhydryl Compounds Liver Humans Machine Learning
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CatNet: Sequence-based deep learning with cross-attention mechanism for identifying endocrine-disrupting chemicals.

Journal of hazardous materials Nov 22, 2023
Endocrine-disrupting chemicals (EDCs) pose significant environmental and health risks due to their potential to interfere with nuclear receptors (NRs), key regulators of physiological processes. Despite the evident risks, the majority of existing res...
Humans Deep Learning Endocrine Disruptors
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Modeling and insights into the structural characteristics of endocrine-disrupting chemicals.

Ecotoxicology and environmental safety Jul 13, 2023
Endocrine-disrupting chemicals (EDCs) can cause serious harm to human health and the environment; therefore, it is important to rapidly and correctly identify EDCs. Different computational models have been proposed for the prediction of EDCs over the...
Humans Endocrine Disruptors Receptors, Estrogen Artificial Intelligence Risk Assessment
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Thyroid endocrine disruption and hepatotoxicity induced by bisphenol AF: Integrated zebrafish embryotoxicity test and deep learning.

The Science of the total environment Feb 4, 2022
Bisphenol AF (BPAF) is an emerging contaminant prevalent in the environment as one of main substitutes of bisphenol A (BPA). It was found that BPAF exhibited estrogenic effects in zebrafish larvae in our previous study, while little is known about it...
Endocrine Disruptors Chemical and Drug Induced Liver Injury Fluorocarbons Benzhydryl Compounds Animals Deep Learning Phenols Zebrafish Thyroid Gland
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Graphene oxide enhanced the endocrine disrupting effects of bisphenol A in adult male zebrafish: Integrated deep learning and metabolomics studies.

The Science of the total environment Oct 29, 2021
In our previous studies, it was found that graphene oxide (GO) reduced the endocrine disruption of bisphenol A (BPA) in zebrafish embryo and larvae, but through different mechanisms. In this study, adult male zebrafish were selected to further unders...
Benzhydryl Compounds Endocrine Disruptors Zebrafish Graphite Molecular Docking Simulation Deep Learning Metabolomics Phenols Water Pollutants, Chemical Animals Male
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Deep Learning Model for Identifying Critical Structural Motifs in Potential Endocrine Disruptors.

Journal of chemical information and modeling Apr 19, 2021
This paper aims to identify structural motifs within a molecule that contribute the most toward a chemical being an endocrine disruptor. We have developed a deep neural network-based toolkit toward this aim. The trained model can virtually assess a s...
Endocrine Disruptors Neural Networks, Computer Deep Learning
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Predictive modeling of estrogen receptor agonism, antagonism, and binding activities using machine- and deep-learning approaches.

Laboratory investigation; a journal of technical methods and pathology Aug 10, 2020
As defined by the World Health Organization, an endocrine disruptor is an exogenous substance or mixture that alters function(s) of the endocrine system and consequently causes adverse health effects in an intact organism, its progeny, or (sub)popula...
Computational Biology Models, Statistical Endocrine Disruptors Receptors, Estrogen Databases, Chemical Humans Protein Binding Machine Learning Mice Algorithms Animals Deep Learning
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A curated knowledgebase on endocrine disrupting chemicals and their biological systems-level perturbations.

The Science of the total environment Jul 16, 2019
Human well-being can be affected by exposure to several chemicals in the environment. One such group is endocrine disrupting chemicals (EDCs) that can perturb the hormonal homeostasis leading to adverse health effects. In this work, we have developed...
Endocrine Disruptors Environmental Pollutants Rodentia Humans Knowledge Bases Animals
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Deep learning driven QSAR model for environmental toxicology: Effects of endocrine disrupting chemicals on human health.

Environmental pollution (Barking, Essex : 1987) Jul 6, 2019
Over 80,000 endocrine-disrupting chemicals (EDCs) are considered emerging contaminants (ECs), which are of great concern due to their effects on human health. Quantitative structure-activity relationship (QSAR) models are a promising alternative to i...
Quantitative Structure-Activity Relationship Endocrine Disruptors Receptors, Estrogen Computational Biology Environmental Pollutants Neural Networks, Computer Humans Sex Hormone-Binding Globulin Deep Learning Ecotoxicology
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