AIMC Topic: Triazines

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A network toxicology and machine learning approach to investigate the mechanism of kidney injury from melamine and cyanuric acid co-exposure.

Ecotoxicology and environmental safety Mar 14, 2025
BACKGROUND: Within the past two decades, high-profile cases of melamine (MA) exposure have raised significant toxicological concerns, particularly regarding food adulteration. While widely used as a fundamental organic chemical intermediate in variou...
Kidney Rats Rats, Sprague-Dawley Triazines Animals Male Molecular Docking Simulation Machine Learning
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Layer-by-Layer Self-Assembled Honeycomb Structure Flexible Pressure Sensor Array for Gait Analysis and Motion Posture Recognition with the Assistance of the ResNet-50 Neural Network.

ACS sensors Mar 10, 2025
With the rapid emergence of flexible electronics, flexible pressure sensors are of importance in various fields. In this study, a dopamine-modified melamine sponge (MS) was used to prepare a honeycomb structure of carbon black (CB)/MXene-silicone rub...
Posture Humans Gait Neural Networks, Computer Pressure Wearable Electronic Devices Triazines
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A deep-learning model for predicting tyrosine kinase inhibitor response from histology in gastrointestinal stromal tumor.

The Journal of pathology Feb 14, 2025
Over 90% of gastrointestinal stromal tumors (GISTs) harbor mutations in KIT or PDGFRA that can predict response to tyrosine kinase inhibitor (TKI) therapies, as recommended by NCCN (National Comprehensive Cancer Network) guidelines. However, gene seq...
Aged Male Middle Aged Deep Learning Humans Female Protein Kinase Inhibitors Pyrroles Triazines Receptor, Platelet-Derived Growth Factor alpha Proto-Oncogene Proteins c-kit Tyrosine Kinase Inhibitors Gastrointestinal Stromal Tumors Imatinib Mesylate Pyrazoles Treatment Outcome Mutation Gastrointestinal Neoplasms
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Antivirals for monkeypox virus: Proposing an effective machine/deep learning framework.

PloS one Sep 12, 2024
Monkeypox (MPXV) is one of the infectious viruses which caused morbidity and mortality problems in these years. Despite its danger to public health, there is no approved drug to stand and handle MPXV. On the other hand, drug repurposing is a promisin...
Mpox, Monkeypox Ribavirin Triazines Dibenzothiepins Morpholines Monkeypox virus Amides Pyrazines Drug Repositioning Deep Learning Antiviral Agents Pyridones Machine Learning Molecular Docking Simulation Humans
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Machine learning-assisted melamine-Cu nanozyme and cholinesterase integrated array for multi-category pesticide intelligent recognition.

Biosensors & bioelectronics Sep 4, 2024
Expanding target pesticide species and intelligent pesticide recognition were formidable challenges for existing cholinesterase inhibition methods. To improve this status, multi-active Mel-Cu nanozyme with mimetic Cu-N sites was prepared for the firs...
Acetylcholinesterase Cholinesterase Inhibitors Pesticides Triazines Biosensing Techniques Limit of Detection Copper Butyrylcholinesterase Machine Learning
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Prediction of biological activity of compounds containing a 1,3,5-triazinyl sulfonamide scaffold by artificial neural networks using simple molecular descriptors.

Bioorganic chemistry Dec 19, 2020
Simple molecular descriptors of extensive series of 1,3,5-triazinyl sulfonamide derivatives, based on the structure of sulfonamides and their physicochemical properties, were designed and calculated. These descriptors were successfully applied as inp...
Triazines Carbonic Anhydrase II Carbonic Anhydrase IX Carbonic Anhydrase Inhibitors Neural Networks, Computer Drug Design Antigens, Neoplasm Sulfonamides Humans
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Discovery of potential 1,3,5-Triazine compounds against strains of Plasmodium falciparum using supervised machine learning models.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences Dec 25, 2019
The Malaria burden was an escalating global encumbrance and need to be addressed with critical care. Anti-malarial drug discovery was integrated with supervised machine learning (ML) models to identify potent thiazolyl-traizine derivatives. This assi...
Machine Learning Antimalarials Triazines Plasmodium falciparum Malaria Parasitemia Chloroquine
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Automated online coupling of robot-assisted single drop microextraction and liquid chromatography.

Journal of chromatography. A Feb 16, 2019
A high-throughput and innovative setup has been developed to automate the online integration of single drop microextraction (SDME), liquid chromatography (LC) and high-resolution mass spectrometry (QqToF). SDME and LC were online hyphenated for the f...
Atrazine Simazine Liquid Phase Microextraction Chemistry Techniques, Analytical Triazines Chromatography, Liquid Robotics Limit of Detection Reproducibility of Results Organic Chemicals Mass Spectrometry
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Application of molecular docking and PSO-SVR intelligent approaches in antimalarial activity prediction of enantiomeric cycloguanil analogues.

SAR and QSAR in environmental research Nov 1, 2018
A series of antifolate compounds, i.e. 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, or cycloguanil analogues, have shown effective inhibiting properties against Plasmodium falciparum dihydrofolate reductase (PfDHFR). In this work, the ...
Quantitative Structure-Activity Relationship Stereoisomerism Folic Acid Antagonists Molecular Structure Antimalarials Enzyme Inhibitors Tetrahydrofolate Dehydrogenase Machine Learning Substrate Specificity Algorithms Triazines Proguanil Protein Binding Reproducibility of Results Plasmodium falciparum Molecular Docking Simulation
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Antifouling booster biocide extraction from marine sediments: a fast and simple method based on vortex-assisted matrix solid-phase extraction.

Environmental science and pollution research international Dec 27, 2017
This paper reports the development of an analytical method employing vortex-assisted matrix solid-phase dispersion (MSPD) for the extraction of diuron, Irgarol 1051, TCMTB (2-thiocyanomethylthiobenzothiazole), DCOIT (4,5-dichloro-2-n-octyl-3-(2H)-iso...
Geologic Sediments Chromatography, Liquid Solid Phase Extraction Disinfectants Aniline Compounds Triazines Diuron
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