AIMC Topic: Kinetics

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Comparative Analysis of Machine Learning Algorithms Used for Translating Aptamer-Antigen Binding Kinetic Profiles to Diagnostic Decisions.

ACS sensors Jan 27, 2025
Current approaches for classifying biosensor data in diagnostics rely on fixed decision thresholds based on receiver operating characteristic (ROC) curves, which can be limited in accuracy for complex and variable signals. To address these limitation...
Support Vector Machine Kinetics Saliva Aptamers, Nucleotide Biosensing Techniques SARS-CoV-2 ROC Curve Humans Neural Networks, Computer COVID-19 Algorithms Machine Learning
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Determination of quality differences and origin tracing of green tea from different latitudes based on TG-FTIR and machine learning.

Food research international (Ottawa, Ont.) Jan 27, 2025
Latitude differences can significantly affect the quality of tea, while in-depth research in this field is lacking. This study investigates green teas from different latitudes in China using thermogravimetric analysis coupled with infrared spectrosco...
Machine Learning Cluster Analysis Camellia sinensis Tea Kinetics China Pyrolysis Principal Component Analysis Spectroscopy, Fourier Transform Infrared Thermogravimetry
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Addressing data uncertainty of Caulobacter crescentus cell cycles using hybrid Petri nets with fuzzy kinetics.

Computers in biology and medicine Jan 18, 2025
Studying and analysing the various phases and key proteins of cell cycles is essential for the understanding of cell development and differentiation. To this end, mechanistic models play an important role towards a system level understanding of the i...
Cell Cycle Caulobacter crescentus Kinetics Models, Biological Computer Simulation Fuzzy Logic
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Pretrained Deep Neural Network Kin-SiM for Single-Molecule FRET Trace Idealization.

The journal of physical chemistry. B Jan 14, 2025
Single-molecule fluorescence resonance energy transfer (smFRET) has emerged as a pivotal technique for probing biomolecular dynamics over time at nanometer scales. Quantitative analyses of smFRET time traces remain challenging due to confounding fact...
Neural Networks, Computer Markov Chains Fluorescence Resonance Energy Transfer Single Molecule Imaging Deep Learning Kinetics
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Biochemical and Computational Characterization of Haloalkane Dehalogenase Variants Designed by Generative AI: Accelerating the S2 Step.

Journal of the American Chemical Society Jan 10, 2025
Generative artificial intelligence (AI) models trained on natural protein sequences have been used to design functional enzymes. However, their ability to predict individual reaction steps in enzyme catalysis remains unclear, limiting the potential u...
Artificial Intelligence Kinetics Molecular Dynamics Simulation Hydrolases Protein Engineering
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Kinetics, central composite design and artificial neural network modelling of ciprofloxacin antibiotic photodegradation using fabricated cobalt-doped zinc oxide nanoparticles.

Scientific reports Jan 10, 2025
Cobalt-doped zinc oxide nanoparticles were fabricated and examined in this study as a potential photocatalyst for the antibiotic ciprofloxacin (CIPF) degradation when exposed to visible LED light. The Co-precipitation technique created Cobalt-doped z...
Cobalt Photolysis Catalysis Nanoparticles Neural Networks, Computer Ciprofloxacin Zinc Oxide Kinetics Metal Nanoparticles Anti-Bacterial Agents Light
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PreTKcat: A pre-trained representation learning and machine learning framework for predicting enzyme turnover number.

Computational biology and chemistry Jan 1, 2025
The enzyme turnover number (k) is crucial for understanding enzyme kinetics and optimizing biotechnological processes. However, experimentally measured k values are limited due to the high cost and labor intensity of wet-lab measurements, necessitati...
Machine Learning Kinetics Enzymes
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Deep Learning-Based Ion Channel Kinetics Analysis for Automated Patch Clamp Recording.

Advanced science (Weinheim, Baden-Wurttemberg, Germany) Dec 31, 2024
The patch clamp technique is a fundamental tool for investigating ion channel dynamics and electrophysiological properties. This study proposes the first artificial intelligence framework for characterizing multiple ion channel kinetics of whole-cell...
Humans Deep Learning Action Potentials Kinetics Ion Channels Alzheimer Disease Neurons Patch-Clamp Techniques
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Deep Learning Unravels Differences Between Kinematic and Kinetic Gait Cycle Time Series from Two Control Samples of Healthy Children Assessed in Two Different Gait Laboratories.

Sensors (Basel, Switzerland) Dec 27, 2024
We investigate the application of deep learning in comparing gait cycle time series from two groups of healthy children, each assessed in different gait laboratories. Both laboratories used similar gait analysis protocols with minimal differences in ...
Laboratories Male Female Gait Analysis Deep Learning Kinetics Humans Child Biomechanical Phenomena Gait Algorithms
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Combining Group Contribution Method and Semisupervised Learning to Build Machine Learning Models for Predicting Hydroxyl Radical Rate Constants of Water Contaminants.

Environmental science & technology Dec 26, 2024
Machine learning is an effective tool for predicting reaction rate constants for many organic compounds with the hydroxyl radical (HO). Previously reported models have achieved relatively good performance, but due to scarce data (<1400 records), the ...
Kinetics Hydroxyl Radical Machine Learning Water Pollutants, Chemical
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