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.

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

Do different physical traits affect teenagers’ initial trust of an unknown person? Would they give greater trust to women and people of similar ethnicity? To test these hypotheses, the authors developed a survey to determine the sets of physical characteristics that affect a person's trustworthiness. They found that gender and expression were the main physical traits associated with how trustworthy an individual looks, while ethnicity was also important.

In this study, the authors use existing mathematical models to how high school athletes pace 800 m, 1600 m, and 3200 m distance track events compared to elite athletes.

This study applies Taft linear free-energy relationships to study kinetic trends in the enzymatic hydrolysis of sterically hindered substrates.

The traditional alert system in California consists of Wireless Emergency Alerts (WEAs), which lack location specificity, and sign-up-based technology which is limited by the number of sign ups. Those who do not have phones or have a silence option on their devices are most at risk from the current alert system. Here the authors developed cloud-enabled crisis connection for disaster alerts (CRISIS-CONNECT) to mitigate problems associated with the current alert system.

Have you ever wondered what contributes to the popping ability of popcorn? In this study, the authors use Quantitative Trait Locus (QTL) mapping to identify genes that may contribute to specific popping characteristics including kernel size and popping expansion volume (PEV).

In this study, the impact of thermal effects on the orbit of an asteroid is investigated. This included determining if the asteroid's orbit would push into a region devoid of asteroids due to the gravitational pull of Jupiter.

Though current strategies in counterterrorism are somewhat effective, the Simultaneous Attack/Persistent Pursuit (SAPP) Theory may be superior alternative to current methods. The authors simulated five attack strategies (1 SAPP and 4 non-SAPP), and concluded that the SAPP model was significantly more effective in reducing the final number of terrorist attacks. This demonstrates the comparative advantage of utilizing the SAPP model, which may prove to be critical in future efforts in counterterrorism.

Scientists are always on the quest to improve the body's healing abilities and broken bones are no exception. In this article, the authors investigate properties of 3D-printed biocompatible polymers used to improve bone healing. With such efforts, we can hope to, one day, improve bone scaffolding materials in ways that make the natural healing processes more efficient, reducing the time needed for recovery from bone fractures.