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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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Rethinking the electric vehicle tax policy: prioritizing affordable solutions for environmental impact

Miao et al. | Jan 26, 2026

Rethinking the electric vehicle tax policy: prioritizing affordable solutions for environmental impact

Car emissions harm both the environment and human health, and current U.S. EV tax credits mainly benefit high-income households because EVs are expensive. This study evaluates U.S. vehicle emissions policies by analyzing 2022 national vehicle data to compare the fuel economy and greenhouse gas impacts of the current EV tax credit with a proposed policy that incentivizes hybrid vehicle purchases.

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Pressing filtration for extraction of cabbage dietary fiber and soluble components

Xie et al. | Nov 16, 2025

Pressing filtration for extraction of cabbage dietary fiber and soluble components
Image credit: Shelley Pauls

Here the authors introduce pressing filtration as a novel, efficient, and low-energy method for extracting dietary fiber from cabbage, which successfully retains heat-sensitive nutrients and achieves a high fiber yield. The study demonstrates the scalability and economic viability of this technique for commercial use, highlighting that the resulting high-fiber cabbage powder can be incorporated into familiar foods like hamburger buns and beef patties without compromising taste or sensory quality.

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Enhanced brain arteries and aneurysms analysis using a CAE-CFD approach

Saravanan et al. | Mar 02, 2025

Enhanced brain arteries and aneurysms analysis using a CAE-CFD approach
Image credit: Vineet Saravanan

Here, recognizing that brain aneurysms pose a severe threat, often misdiagnosed and leading to high mortality, particularly in younger individuals, the authors explored a novel computer-aided engineering approach. They used magnetic resonance angiography images and computational fluid dynamics, to improve aneurysm detection and risk assessment, aiming for more personalized treatment.

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Machine learning for retinopathy prediction: Unveiling the importance of age and HbA1c with XGBoost

Ramachandran et al. | Sep 05, 2024

Machine learning for retinopathy prediction: Unveiling the importance of age and HbA1c with XGBoost

The purpose of our study was to examine the correlation of glycosylated hemoglobin (HbA1c), blood pressure (BP) readings, and lipid levels with retinopathy. Our main hypothesis was that poor glycemic control, as evident by high HbA1c levels, high blood pressure, and abnormal lipid levels, causes an increased risk of retinopathy. We identified the top two features that were most important to the model as age and HbA1c. This indicates that older patients with poor glycemic control are more likely to show presence of retinopathy.

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Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

Kirby et al. | Aug 23, 2024

Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

This study explored the use of graphite's conductivity for circuit boards by creating a conductive paste through exfoliation with organic solvents and sonication. The combination of acetone and sonication was found to be the most effective, producing a high-conductivity paste with desirable properties such as a low boiling point. While not a replacement for wires, this conductive paste has potential applications in electronics and infrastructure, provided that key engineering challenges are addressed.

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Jet optimization using a hybrid multivariate regression model and statistical methods in dimuon collisions

Chunduri et al. | Jun 09, 2024

Jet optimization using a hybrid multivariate regression model and statistical methods in dimuon collisions
Image credit: Chunduri, Srinivas and McMahan, 2024.

Collisions of heavy ions, such as muons result in jets and noise. In high-energy particle physics, researchers use jets as crucial event-shaped observable objects to determine the properties of a collision. However, many ionic collisions result in large amounts of energy lost as noise, thus reducing the efficiency of collisions with heavy ions. The purpose of our study is to analyze the relationships between properties of muons in a dimuon collision to optimize conditions of dimuon collisions and minimize the noise lost. We used principles of Newtonian mechanics at the particle level, allowing us to further analyze different models. We used simple Python algorithms as well as linear regression models with tools such as sci-kit Learn, NumPy, and Pandas to help analyze our results. We hypothesized that since the invariant mass, the energy, and the resultant momentum vector are correlated with noise, if we constrain these inputs optimally, there will be scenarios in which the noise of the heavy-ion collision is minimized.

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Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426

Còdol et al. | Oct 05, 2023

Defying chemical tagging: inhomogeneities in the wide binary system HIP 34407/HIP 34426
Image credit: Pixabay

This assessed the hypothesis that stars in wide binary systems are chemically homogeneous because of their shared origin. Abundances of the HIP 34407/HIP 34426 binary were obtained by analyzing high-resolution spectra of the system. Discrepancies found in the system’s elemental abundances might be an indicator of the presence of rocky planets around this star. Thus, the differences found in chemical composition might demonstrate limitations in the assumptions of chemical tagging.

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