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.

Solar and radio frequency harvesters serve as a viable alternative energy source to batteries in many cases where the battery cannot be easily replaced. Using specifically designed circuit models, the authors quantify the reliability of different harvested energy sources to identify the most practical and efficient forms of renewable energy.

In this study, the authors examined the effects of commonly used pesticides (metolachlor, glyphosate, chlorpyrifos, and atrazine) on population size, motor function, and learning in Drosophila melanogaster.

Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO₂), volatile organic compounds (VOCs), and ozone (O₃) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO₂, NO_x, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.

Modern artificial neural networks have been remarkably successful in various applications, from speech recognition to computer vision. However, it remains less clear whether they can implement abstract concepts, which are essential to generalization and understanding. To address this problem, the authors investigated the above vs. below task, a simple concept-based task that honeybees can solve, using a conventional neural network. They found that networks achieved 100% test accuracy when a visual target was presented below a black bar, however only 50% test accuracy when a visual target was presented below a reference shape.

Here in an effort to better understand how our brains process and remember different categories of information, the authors assessed working memory capacity using an operation span task. They found that individuals with higher working memory capacity had higher overall higher task accuracy regardless of the type of category or the type of visual distractors they had to process. They suggest this may play a role in how some students may be less affected by distracting stimuli compared to others.

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.

Nitrogen-fixing bacteria, such as the legume mutualist rhizobia, convert atmospheric nitrogen into a form that is usable by living organisms. Leguminous plants, like the model species Medicago truncatula, directly benefit from this process by forming a symbiotic relationship with rhizobia. Here, Rathod and Rowe investigate how M. truncatula responds to non-rhizobial bacterial partners.

In this study, the authors share their work on improving the frame rate of videos to reduce data sent to users with both 2D and 3D footage. This work helps improve the experience for both types of footage!

The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.