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.

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.

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.

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

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

Quorum sensing (QS) is the process in which bacteria recognize and respond to the surrounding cell density, and it can be inhibited by certain antimicrobial substances. This study showed that illumination intensity data is insufficient for evaluating QS activity without proper statistical modeling. It concluded that modeling illumination intensity through time provides a more accurate evaluation of QS activity than conventional cross-sectional analysis.

In this study, the authors studied the ability for bacteria to develop antibiotic resistance over successive generations and modeled the trajectory to predict how antibiotic resistance is developed.

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

In this article, the authors investigate whether stock selection across various sectors is efficient enough to outperform an overall market. Stocks from 2006 to 2020 were selected across sectors to calculate beta values using the Capital Asset Pricing Model.

In this article the authors looked at different attributes of apps within the Google Play store to determine how those may impact the overall app rating out of five stars. They found that review count, amount of storage needed and when the app was last updated to be the most influential factors on an app's rating.