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.

Smartphones are not only becoming an inseparable part of our daily lives, but also a low-cost, powerful optical imaging tool for more and more scientific research applications. In this work, smartphones were used as a low-cost, high-speed, photographic alternative to expensive equipment, such as those typically found in scientific research labs, to accurately perform motion tracking and analysis of fast-moving objects. By analyzing consecutive images, the speed and flight trajectory of water droplets in the air were obtained, thereby enabling us to estimate the area of the water droplets landing on the ground.

This experiment assessed the effectiveness of a virtual environment as a method of exposure in the treatment of high school students’ public speaking anxiety. The results show that participants’ heartbeat was higher when they wore a VR headset than when they did not.

Here, recognizing that years of training in saber fencing could expectedly result in optimized movements that result in elite skill levels, the authors used motion tracking and statistical analysis to assess the difference in velocity and blade tip velocity of novice and elite fencers during a vertical blade thrust. They found statistically significant differences in blade tip velocity and elbow joint angle kinematics.

In this study, the authors assess the factors that allow some speedcubers to solve Rubik's Cubes faster than others.

Physical therapy, especially for patients with spinal cord injuries, can be a difficult and tedious experience. This can result in negative health outcomes, such as patients dropping out of physical therapy or developing additional health problems. In this study, the authors develop and test a potential solution to these challenges: a mixed reality game called Skyfarer that replaces a standard physical therapy regimen with an immersive experience that can be shared with their friends and family. The findings of this study suggest that mixed reality games such as Skyfarer could be effective alternatives to conventional physical therapy.

How accurate are DNA parentage tests? In this study, the authors hypothesized that current parentage tests are reliable if the analysis involves only one or a few families of yellow perch fish Perca flavescens. Their results suggest that DNA parentage tests are reliable as long as the right methods are used, since these tests involve only one family in most cases, and that the results from parentage analyses of large populations can only be used as a reference.

This study hypothesized that feeding times of bison in the hunted populations would be significantly shorter than that of bison in the nonhunted population and vigilance times would be significantly longer than that of bison in the nonhunted population. Notably, the results found significant differences in feeding and vigilance times of bison in the hunted and non-hunted populations. However, these differences did not support the original hypothesis; bison in hunted populations spent more time feeding and less time vigilant than bison in the non-hunted population. Future studies investigating the association between hunting and bison behaviors could use populations of bison that are hunted more frequently, which may provide different results.

The COVID-19 pandemic has caused disruption in social interactions. In this study, the authors tested if walking a dog will change human interactions and found that walking with a dog increased social interaction.

In this study, potential physiological effects of Red 40 food dye, found in many different food products, are tested using Daphnia magna, a small freshwater crustacean.