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An efficient approach to automated geometry diagram parsing

Date et al. | Oct 02, 2022

An efficient approach to automated geometry diagram parsing

Here, beginning from an initial interest in the possibility to use a computer to automatically solve a geometry diagram parser, the authors developed their own Fast Geometry Diagram Parser (FastGDP) that uses clustering and corner information. They compared their own methods to a more widely available, method, GeoSolver, finding their own to be an order of magnitude faster in most cases that they considered.

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Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

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The effect of molecular weights of chitosan on the synthesis and antifungal effect of copper chitosan

Byakod et al. | Apr 07, 2024

The effect of molecular weights of chitosan on the synthesis and antifungal effect of copper chitosan

Pathogenic fungi such as Alternaria alternata (A. alternata) can decimate crop yields and severely limit food supplies when left untreated. Copper chitosan (CuCts) is a promising alternative fungicide for developing agricultural areas due to being inexpensive and nontoxic. We hypothesized that LMWc CuCts would exhibit greater fungal inhibition due to the beneficial properties of LMWc.

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Molecular Alterations in a High-Fat Mouse Model Before the Onset of Diet–Induced Nonalcoholic Fatty Liver Disease

Lee et al. | Sep 20, 2016

Molecular Alterations in a High-Fat Mouse Model Before the Onset of Diet–Induced Nonalcoholic Fatty Liver Disease

Nonalcoholic fatty liver disease (NAFLD) is one of the most prevalent chronic liver diseases worldwide, but there are few studied warning signs for early detection of the disease. Here, researchers study alterations that occur in a mouse model of NAFLD, which indicate the onset of NAFLD sooner. Earlier detection of diseases can lead to better prevention and treatment.

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