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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

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.

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Exploring the Factors that Drive Coffee Ratings

Agarwal et al. | May 19, 2025

Exploring the Factors that Drive Coffee Ratings

This study explores the factors that influence coffee quality ratings using data from the Coffee Quality Institute. Through a regression model based on gradient descent, the authors aimed to predict coffee ratings (total cup points) and hypothesized that sweetness and the coffee producer would be the most influential factors.

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Racial disparities in school discipline in Collier County, Florida

Khan et al. | Jun 21, 2024

Racial disparities in school discipline in Collier County, Florida
Image credit: Ivan Aleksic

Here, the authorized analyzed data from the Florida Department of Education Office of Safe Schools regarding disciplinary outcomes in Collier County public schools. They reported that Black Students were more likely to receive both in-school and out-of-school suspensions than White students, which they concluded suggests racial inequities in school discipline that requires addressing as a society.

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A novel deep learning model for visibility correction of environmental factors in autonomous vehicles

Dey et al. | Oct 31, 2022

A novel deep learning model for visibility correction of environmental factors in autonomous vehicles

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.

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Ribosome distribution affects stalling in amino-acid starved cancer cells

Deng et al. | Jan 07, 2022

Ribosome distribution affects stalling in amino-acid starved cancer cells

In this article, the authors analyzed ribosome profiling data from amino acid-starved pancreatic cancer cells to explore whether the pattern of ribosome distribution along transcripts under normal conditions can predict the degree of ribosome stalling under stress. The authors found that ribosomes in amino acid-deprived cells stalled more along elongation-limited transcripts. By contrast, they observed no relationship between read density near start and stop and disparities between mRNA sequencing reads and ribosome profiling reads. This research identifies an important relationship between read distribution and propensity for ribosomes to stall, although more work is needed to fully understand the patterns of ribosome distribution along transcripts in ribosome profiling data.

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Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

Ramprasad et al. | Mar 18, 2020

Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.

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