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.

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 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.

Machine learning algorithms are becoming increasingly popular for data crunching across a vast area of scientific disciplines. Here, the authors compare two machine learning algorithms with respect to accuracy and user-friendliness and find that random forest algorithms outperform logistic regression when applied to the same dataset.

Here the authors sought to use three machine learning models to predict poverty levels in Cambodia based on available household data. They found teat multilayer perceptron outperformed the other models, with an accuracy of 87 %. They suggest that data-driven approaches such as these could be used more effectively target and alleviate poverty.

In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.

Rhizopus stolonifer is a mold commonly found growing on bread that can cause many negative health effects when consumed. Preservatives are the well-known answer to this problem; however, many preservatives are not naturally found in food, and some have negative health effects of their own. We focused on honey as a possible solution because of its natural origin and self-preservation ability. We hypothesized that honey would decrease the growth rate of R. stolonifer . We evaluated the honey with a zone of inhibition (ZOI) test on agar plates. Sabouraud dextrose agar was mixed with differing volumes of honey to generate concentrations between 10.0% and 30.0%. These plates were then inoculated with a solution of spores collected from the mold. The ZOI was measured to determine antifungal effectiveness. A statistically significant difference was found between the means of all concentrations except for 20.0% and 22.5%. Our findings support the hypothesis as we showed a positive correlation between the honey concentration and growth rate of mold. By using this data, progress could be made on an all-natural, honey-based preservative.

There are believed to be ~20,000 nebulae in the Milky Way Galaxy. However, humans have only cataloged ~1,800 of them even though we have gathered 1.3 million nebula images. Classification of nebulae is important as it helps scientists understand the chemical composition of a nebula which in turn helps them understand the material of the original star. Our research on nebulae classification aims to make the process of classifying new nebulae faster and more accurate using a hybrid of deep learning and machine learning techniques.

In this study, a deep learning model is used to classify post-traumatic stress disorder patients through novel markers to assist in finding candidate biomarkers for the disorder.

Cancer is often caused by improper function of a few proteins, and sometimes it takes only a few proteins to malfunction to cause drastic changes in cells. Here the authors look at the genes that were mutated in patients with a type of pancreatic cancer to identify proteins that are important in causing cancer. They also determined which proteins currently lack effective treatment, and suggest that certain proteins (named KRAS, CDKN2A, and RBBP8) are the most important candidates for developing drugs to treat pancreatic cancer.