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.

Alzheimer's disease is one of the leading causes of death in the United States and is characterized by neurodegeneration. Mishra et al. wanted to understand the role of two transport proteins, LRP1 and AQP4, in the neurodegeneration of Alzheimer's disease. They used a model organism for Alzheimer's disease, the nematode C. elegans, and genetic engineering to look at whether they would see a decrease in neurodegeneration if they increased the amount of these two transport proteins. They found that the best improvements were caused by increased expression of both transport proteins, with smaller improvements when just one of the proteins is overly expressed. Their work has important implications for how we understand neurodegeneration in Alzheimer's disease and what we can do to slow or prevent the progression of the disease.

This article describes the relationship between socioeconomic factors and the extent of how the COVID-19 Pandemic affected communities. Factors such as infection rate, vaccination rate, and economic status were all evaluated within the context of this article.

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.

Human intelligence is correlated with variation in the protein neuroplastin-65, which is encoded by the NPTN gene. The authors examine the evolution of this gene across different animal species.

Understanding how bacteria respond to other bacteria could facilitate their ability to initiate and maintain their infectiousness. The phenomenon by which bacteria signal to each other via chemical signals is called quorum sensing, which could be targeted to deter bacterial infection in some cases if better understood. In this article, the authors study how a bacterium called V. fischeri uses quorum sensing to change bioluminescence, an easy readout that facilitates studying quorum sensing in this strain.

Semantic segmentation - labelling each pixel in an image to a specific class- models require large amounts of manually labeled and collected data to train.

Cosmic rays are high-energy astronomical particles originating from various sources across the universe. Here, The authors sought to understand how surface-level cosmic-ray muon flux is affected by atmospheric attenuation by measuring the variation in relative muon-flux rate relative to zenith angle, testing the hypothesis that muons follow an exponential attenuation model. The attenuation model predicts an attenuation length of 6.3 km. This result implies that only a maximum of 24% of muons can reach the Earth’s surface, due to both decay and atmospheric interactions.

In this study, the authors developed a model named DNA Sequence Embedding Network (DNA-SEnet) to classify DNA-asthma associations using their genomic patterns.

Phagocytes feed by forming food vacuoles. In this article the authors investigate the extent that exposure of non-nutritional food, such as India Ink, to Tetrahymena pyriformis affects the number of vacuole formation. These studies provide insight to how organisms budget their energy and metabolic processes during an energy shortage.