Browse Articles

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.

Read More...

Young People Drinking: The Effect of Group Size on Drinking Habits

Palermo et al. | May 10, 2018

Young People Drinking: The Effect of Group Size on Drinking Habits

Palermo et al. examined the effect of group size on drinking habits of college and high school students. The authors found that both high school and college students tended to consume the most alcohol in group sizes of 4 or more, independent of how frequently they drink. They also found that the proportion of college students that drink is nearly twice the proportion of high school students that drink. This study supports previous findings that underage drinking happens in large groups and suggests that effective intervention in underage drinking would be at the group level.

Read More...

Exploring Interactions between PFAS (Per- and Polyfluoroalkyl Substances) and proteins

Lu-Yang et al. | May 16, 2026

Exploring Interactions between PFAS (Per- and Polyfluoroalkyl Substances) and proteins
Image credit: Authors

Here the authors investigated how the "forever chemical" perfluorooctanoic acid binds to bovine serum albumin (BSA) using computational software to simulate its potential impact on essential human plasma proteins. They identify a possible, high-energy binding configuration that could persistently impair protein functions, underscoring the critical need for further research into the long-term health risks of per- and poly-fluoroalkyl substances exposure.

Read More...

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.

Read More...

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.

Read More...