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.

About 25% of the food grown never reaches consumers due to spoilage, and 11.5 billion pounds of produce from gardens are wasted every year. Current solutions involve farmers manually looking for and treating diseased crops. These methods of tending crops are neither time-efficient nor feasible. I used a convolutional neural network to identify signs of plant disease on leaves for garden owners and farmers.

This study assesses the capacity for milkweed species, an important host plant for Monarch butterflies, to grow in desert environments with different water levels.

The misfolding of proteins leads to numerous diseases including Akzheimer’s, Parkinson’s and Type II Diabetes. Understanding of exactly how proteins fold is crucial for many medical advancements. Chenna and Englander addressed this problem by measuring the rate of hydrogen-deuterium exchange within proteins exposed to deuterium oxide in order to further elucidate the process of protein folding. Here, mass spectrometry was used to measure exchange in Cytochrome c and was compared to archived 1H NMR data.

The current five-year survival rate of metastasized prostate cancer is only 30% and occurs in every one in nine men. Researchers have shown that people with a type of dwarfism called Laron’s Syndrome are immune to cancer due to their low levels of insulin-like growth factor-1 (IGF-1). For this reason, experimentally modifying the level of IGF-1 could provide better insight into whether lowering the levels of IGF-1 in prostate cancer cell lines (e.g. PC-3) could be an effective treatment to reduce their rates of proliferation and migration and increase apoptosis. We selected three compounds, which researchers have shown decrease IGF-1 levels, to test and combine to determine which is the most promising.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

Access to green space—an area of grass, trees, or other vegetation set apart for recreational or aesthetic purposes in an urban environment—and clean drinking water can be unequally distributed in urban spaces, which are often associated with income inequality. Little is known about public drinking water and green space inequities in the Bay Area. For our study, we sought to understand how public park access, drinking fountain access, and the quality of public drinking water differ across income brackets in the Bay Area. Though we observed smaller-scale instances of inequalities, in the park distribution in the Bay Area as a whole, and in the Southern Bay’s water quality and park distribution, our results indicate that other factors could be influencing water quality, and park and fountain access in the Bay Area.

This experiment assessed the effectiveness of a virtual environment as a method of exposure in the treatment of high school students’ public speaking anxiety. The results show that participants’ heartbeat was higher when they wore a VR headset than when they did not.

In this study, the authors investigate whether phototaxis and odortaxis in Drosophila melanogaster occurs through linear summation of cues including light and attractive odorants.

In this study, the authors surveyed a number of students in Singapore to determine how their experiences changed after the implementation of home-based learning during the COVID-19 pandemic.