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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.

Triggered largely by the warming and pollution of oceans, corals are experiencing bleaching and a variety of diseases caused by the spread of bacteria, fungi, and viruses. Identification of bleached/diseased corals enables implementation of measures to halt or retard disease. Benthic cover analysis, a standard metric used in large databases to assess live coral cover, as a standalone measure of reef health is insufficient for identification of coral bleaching/disease. Proposed herein is a solution that couples machine learning with crowd-sourced data – images from government archives, citizen science projects, and personal images collected by tourists – to build a model capable of identifying healthy, bleached, and/or diseased coral.

This study used hand-collected Greenhouse gas (GHG) emissions data from the Environmental Protection Agency (EPA) and aimed to understand the determinants and incentives of GHG emissions reduction. It explored how companies’ financials, Chief Executive Officer (CEO) compensation, and corporate governance affected GHG emissions. Results showed that companies reporting GHG emissions were wide-spread among the 48 industries represented by two-digit Standard Industrial Classification (SIC) codes.

In this study, the authors investigate the demographic indicators for voter shift between the 2016 and 2020 presidential elections based on demographic data put through a K-nearest neighbors classification algorithm and Principal Component Analysis.

Intelligent vehicles utilize a combination of video-enabled object detection and radar data to traverse safely through surrounding environments. However, since the most momentary missteps in these systems can cause devastating collisions, the margin of error in the software for these systems is small. In this paper, we hypothesized that a novel object detection system that improves detection accuracy and speed of detection during adverse weather conditions would outperform industry alternatives in an average comparison.

Coronary heart disease (CHD) is the leading cause of death in the U.S., responsible for nearly 700,000 deaths in 2021, and is marked by artery clogging that can lead to heart attacks. Traditional prediction methods require expensive clinical tests, but a new study explores using machine learning on demographic, clinical, and behavioral survey data to predict CHD.

Previously established data indicate that cemeteries have contributed to groundwater and soil pollution, as embalming fluids can impact the microbiomes that exist in decomposing remains. In this study, Caputo et al hypothesized that microbial variation would be high between cemeteries from different eras due to dissimilarities between embalming techniques employed, and furthermore, that specific microbes would act as an indication for certain contaminants. Overall, they found that there is a variation in the microbiomes of the different eras’ cemeteries according to the concentrations of the phyla and their more specific taxa.

In this study, the authors seek to improve a machine learning algorithm used for image classification: identifying male and female images. In addition to fine-tuning the classification model, they investigate how accuracy is affected by their changes (an important task when developing and updating algorithms). To determine accuracy, a set of images is used to train the model and then a separate set of images is used for validation. They found that the validation accuracy was close to the training accuracy. This study contributes to the expanding areas of machine learning and its applications to image identification.

In this study, the authors share their work on improving the frame rate of videos to reduce data sent to users with both 2D and 3D footage. This work helps improve the experience for both types of footage!

The authors looked at different models of semantic segmentation to determine which may be best used in the future for segmentation of CT scans to help diagnose certain conditions.