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.

Disruptions to the microbiome, specifically the imbalance in the two major phyla, the Firmicutes and the Bacteroidetes, have been linked to the development of obesity. This study explored whether or not Fage plain total 0% Greek yogurt, which contains live and active bacterial cultures belonging to the Firmicute phylum, could decrease the numbers of Bacteroides thetaiotaomicron, an organism found in the human gut that belongs to the Bacteroidetes phylum.

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.

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.

These authors mathematically deduce a model that explains the interesting (and unintuitive) physical phenomenon that occurs when water falls.

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

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

The authors analyzed biosolids from five Wisconsin wastewater treatment plants and suggest using KBr pellet FTIR as a simple and rapid method to start characterizing P species in biosolids.

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

Mealworms (Tenebrio molitor) are important food sources for reptiles, birds, and other organisms, as well as for humans. However, the slow growth and low survival rate of mealworms cause problems for mass production. Since alloferon, a synthetic peptide, showed long-term immunological effects on mealworms, we hypothesized that alloferon would function as a growth promoter to maximize mealworm production. We discovered that the overall weight of the alloferon-containing gelatin diet group was 39.5-90% heavier, and the development time of the experimental group was shortened up to 20.6-39.6% than the control group.