AIMC Topic: Water

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A Neural Network Model for K(λ) Retrieval and Application to Global Kpar Monitoring.

PloS one Jun 17, 2015
Accurate estimation of diffuse attenuation coefficients in the visible wavelengths Kd(λ) from remotely sensed data is particularly challenging in global oceanic and coastal waters. The objectives of the present study are to evaluate the applicability...
Oceans and Seas Models, Statistical Atmosphere Light Oceanography Water Humans Environmental Monitoring Neural Networks, Computer
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Measurement and ANN prediction of pH-dependent solubility of nitrogen-heterocyclic compounds.

Chemosphere May 15, 2015
Based on the solubility of 25 nitrogen-heterocyclic compounds (NHCs) measured by saturation shake-flask method, artificial neural network (ANN) was employed to the study of the quantitative relationship between the structure and pH-dependent solubili...
Quantitative Structure-Activity Relationship Heterocyclic Compounds Hydrogen-Ion Concentration Solubility Neural Networks, Computer Water Environmental Pollutants Nitrogen Models, Theoretical
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Modeling total phosphorus removal in an aquatic environment restoring horizontal subsurface flow constructed wetland based on artificial neural networks.

Environmental science and pollution research international Apr 23, 2015
A horizontal subsurface flow constructed wetland (HSSF-CW) was designed to improve the water quality of an artificial lake in Beijing Wildlife Rescue and Rehabilitation Center, Beijing, China. Artificial neural networks (ANNs), including multilayer p...
Neural Networks, Computer Wetlands Phosphorus Water Beijing Water Movements Models, Theoretical Water Quality Water Pollutants, Chemical
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Dynamic assessment of water quality based on a variable fuzzy pattern recognition model.

International journal of environmental research and public health Feb 16, 2015
Water quality assessment is an important foundation of water resource protection and is affected by many indicators. The dynamic and fuzzy changes of water quality lead to problems for proper assessment. This paper explores a method which is in accor...
Fuzzy Logic Water Quality Pattern Recognition, Automated Environmental Monitoring Water Pollutants, Chemical Water China Models, Theoretical
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Prediction of Henry's Law Constants via group-specific quantitative structure property relationships.

Chemosphere Jan 17, 2015
Henry's Law Constants (HLCs) for several hundred organic compounds in water at 25 °C were predicted by Quantitative Structure Property Relationship (QSPR) models, with the division of organic compounds into specific classes to yield more accurate mod...
Water Organic Chemicals Quantitative Structure-Activity Relationship Neural Networks, Computer Models, Theoretical Gases Linear Models
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Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials.

Physical chemistry chemical physics : PCCP Dec 1, 2014
Investigating the properties of protons in water is essential for understanding many chemical processes in aqueous solution. While important insights can in principle be gained by accurate and well-established methods like ab initio molecular dynamic...
Thermodynamics Protons Molecular Dynamics Simulation Hydrogen Bonding Neural Networks, Computer Water
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Exploring the Reaction Network of Acetic Acid in Supercritical Water via Machine Learning Interatomic Potential.

Journal of chemical information and modeling Aug 25, 2025
Supercritical water oxidation offers promising solutions for waste treatment, but understanding its complex molecular reaction mechanisms remains challenging due to extreme experimental conditions. We compare two computational approaches, a machine l...
Water Oxidation-Reduction Acetic Acid Machine Learning
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Machine Learning-Driven Prediction of Electrochemical Promotion in the Reverse Water Gas Shift Reaction.

Journal of chemical information and modeling Aug 11, 2025
Electrochemical promotion of catalysis (EPOC) provides an effective and versatile strategy to enhance catalytic activity, selectivity, and stability in the reverse water-gas shift (RWGS) reaction, facilitating efficient CO hydrogenation to syngas und...
Carbon Dioxide Gases Electrochemical Techniques Catalysis Hydrogenation Machine Learning Water
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The Hidden Crux of Correctly Determining Octanol-Water Partition Coefficients.

Molecular pharmaceutics Aug 4, 2025
The partitioning of molecules between an aqueous and an organic medium is of major interest for pharmaceutical development and the chemical industry. It characterizes the impact of substances to the environment and to humans, e.g., their accumulation...
Pharmaceutical Preparations Thermodynamics Octanols Water Models, Chemical Algorithms
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Application of artificial intelligence in the rapid determination of moisture content in medicine food homology substances.

Food chemistry Jul 15, 2025
Moisture content is crucial in quality testing of medicine food homology substances. This study aimed to present a new modeling method for moisture content based on near-infrared spectroscopy. When comparing three methods of partial least squares reg...
Spectroscopy, Near-Infrared Water Food Analysis Neural Networks, Computer Artificial Intelligence Least-Squares Analysis
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