AIMC Topic: Imidazoles
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Machine Learning-Assisted Chemical Tongues Based on Dual-channel Inclusion Complexes for Rapid Identification of Nonsteroidal Anti-inflammatory Drugs in Food.
ACS sensors
Feb 24, 2025
The improper application of nonsteroidal anti-inflammatory drugs (NSAIDs) presents significant health hazards via vector food contamination. A critical limitation of these traditional existing approaches is their inability to concurrently discern and...
Linsitinib inhibits proliferation and induces apoptosis of both IGF-1R and TSH-R expressing cells.
Frontiers in immunology
Dec 11, 2024
BACKGROUND: The insulin-like growth factor 1 receptor (IGF-1R) and the thyrotropin receptor (TSH-R) are expressed on orbital cells and thyrocytes. These receptors are targeted in autoimmune-induced thyroid eye disease (TED). Effective therapeutic tre...
Environmentally Sustainable Detection of Arsenic using Convolutional Neural Networks and Imidazole-Based Organic Probes: Application in Food Samples and Arsenic Album.
Chemical research in toxicology
Sep 12, 2024
Arsenic contamination poses a significant health risk, particularly when it infiltrates water supplies. While current detection methods offer precise analysis, they often involve complex instrumentation not suitable for field use. This study presents...
Graphene and metal-organic framework hybrids for high-performance sensors for lung cancer biomarker detection supported by machine learning augmentation.
Nanoscale
May 9, 2024
Conventional diagnostic methods for lung cancer, based on breath analysis using gas chromatography and mass spectrometry, have limitations for fast screening due to their limited availability, operational complexity, and high cost. As potential repla...
Antimicrobial Activity Classification of Imidazolium Derivatives Predicted by Artificial Neural Networks.
Pharmaceutical research
Apr 17, 2024
PURPOSE: This study assesses the Multilayer Perceptron (MLP) neural network, complemented by other Machine Learning techniques (CART, PCA), in predicting the antimicrobial activity of 140 newly designed imidazolium chlorides against Klebsiella pneumo...
Analysis and prediction of anion- and temperature responsive behaviours of luminescent Ru(II)-terpyridine complexes by using Boolean, fuzzy logic, artificial neural network and adapted neuro fuzzy inference models.
Dalton transactions (Cambridge, England : 2003)
Oct 18, 2022
Anion- and temperature responsive behaviors of three luminescent Ru(II)-terpyridine complexes are utilized here to demonstrate multiple Boolean (BL) and fuzzy logic (FL) operations. Taking advantage of the imidazole NH protons, anion-promoted alterat...
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy.
Journal of chemical theory and computation
Jul 14, 2021
Computational capabilities are rapidly increasing, primarily because of the availability of GPU-based architectures. This creates unprecedented simulative possibilities for the systematic and robust computation of thermodynamic observables, including...
Application of artificial neural networks to prediction of new substances with antimicrobial activity against Escherichia coli.
Journal of applied microbiology
Jul 16, 2020
AIMS: This article presents models of artificial neural networks (ANN) employed to predict the biological activity of chemical compounds based of their structure. Regression and classification models were designed to determine antimicrobial propertie...
Cenicriviroc, a dual CCR2 and CCR5 antagonist leads to a reduction in plasma fibrotic biomarkers in persons living with HIV on antiretroviral therapy.
HIV research & clinical practice
Feb 4, 2020
Chronic HIV is associated with increased inflammation and tissue fibrosis despite suppressive antiretroviral therapy (ART). Monocytes and macrophages have been implicated in the pathogenesis of fibrosis, facilitated by chemokine receptor interaction...
Imidazolium ionic liquids as effective antiseptics and disinfectants against drug resistant S. aureus: In silico and in vitro studies.
Computational biology and chemistry
Feb 8, 2018
This paper describes Quantitative Structure-Activity Relationships (QSAR) studies, molecular docking and in vitro antibacterial activity of several potent imidazolium-based ionic liquids (ILs) against S. aureus ATCC 25923 and its clinical isolate. Sm...
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