AIMC Topic: Bridged-Ring Compounds

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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...
Machine Learning Animals Food Contamination Food Analysis Imidazoles Anti-Inflammatory Agents, Non-Steroidal Spectrometry, Fluorescence Milk Macrocyclic Compounds Heterocyclic Compounds, 2-Ring Bridged-Ring Compounds Imidazolidines
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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...
Machine Learning Protein Binding Imidazoles Molecular Dynamics Simulation Ligands Glycogen Synthase Kinase 3 beta Thermodynamics Bridged-Ring Compounds
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Prediction of Acquired Taxane Resistance Using a Personalized Pathway-Based Machine Learning Method.

Cancer research and treatment Aug 10, 2018
PURPOSE: This study was conducted to develop and validate an individualized prediction model for automated detection of acquired taxane resistance (ATR).
Machine Learning Algorithms Precision Medicine Reproducibility of Results Antineoplastic Agents Gene Expression Profiling Pharmacogenetics ROC Curve Databases, Genetic Models, Statistical Drug Resistance, Neoplasm Taxoids Bridged-Ring Compounds
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