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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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Using machine learning to develop a global coral bleaching predictor

Madireddy et al. | Feb 21, 2023

Using machine learning to develop a global coral bleaching predictor
Image credit: Madireddy, Bosch, and McCalla

Coral bleaching is a fatal process that reduces coral diversity, leads to habitat loss for marine organisms, and is a symptom of climate change. This process occurs when corals expel their symbiotic dinoflagellates, algae that photosynthesize within coral tissue providing corals with glucose. Restoration efforts have attempted to repair damaged reefs; however, there are over 360,000 square miles of coral reefs worldwide, making it challenging to target conservation efforts. Thus, predicting the likelihood of bleaching in a certain region would make it easier to allocate resources for conservation efforts. We developed a machine learning model to predict global locations at risk for coral bleaching. Data obtained from the Biological and Chemical Oceanography Data Management Office consisted of various coral bleaching events and the parameters under which the bleaching occurred. Sea surface temperature, sea surface temperature anomalies, longitude, latitude, and coral depth below the surface were the features found to be most correlated to coral bleaching. Thirty-nine machine learning models were tested to determine which one most accurately used the parameters of interest to predict the percentage of corals that would be bleached. A random forest regressor model with an R-squared value of 0.25 and a root mean squared error value of 7.91 was determined to be the best model for predicting coral bleaching. In the end, the random model had a 96% accuracy in predicting the percentage of corals that would be bleached. This prediction system can make it easier for researchers and conservationists to identify coral bleaching hotspots and properly allocate resources to prevent or mitigate bleaching events.

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Artificial intelligence assisted violin performance learning

Zhang et al. | Aug 30, 2023

Artificial intelligence assisted violin performance learning
Image credit: Philip Myrtorp

In this study the authors looked at the ability of artificial intelligence to detect tempo, rhythm, and intonation of a piece played on violin. Technology such as this would allow for students to practice and get feedback without the need of a teacher.

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A land use regression model to predict emissions from oil and gas production using machine learning

Cao et al. | Mar 24, 2023

A land use regression model to predict emissions from oil and gas production using machine learning

Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO2), volatile organic compounds (VOCs), and ozone (O3) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO2, NOx, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.

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A machine learning approach for abstraction and reasoning problems without large amounts of data

Isik et al. | Jun 25, 2022

A machine learning approach for abstraction and reasoning problems without large amounts of data

While remarkable in its ability to mirror human cognition, machine learning and its associated algorithms often require extensive data to prove effective in completing tasks. However, data is not always plentiful, with unpredictable events occurring throughout our daily lives that require flexibility by artificial intelligence utilized in technology such as personal assistants and self-driving vehicles. Driven by the need for AI to complete tasks without extensive training, the researchers in this article use fluid intelligence assessments to develop an algorithm capable of generalization and abstraction. By forgoing prioritization on skill-based training, this article demonstrates the potential of focusing on a more generalized cognitive ability for artificial intelligence, proving more flexible and thus human-like in solving unique tasks than skill-focused algorithms.

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Utilizing meteorological data and machine learning to predict and reduce the spread of California wildfires

Bilwar et al. | Jan 15, 2024

Utilizing meteorological data and machine learning to predict and reduce the spread of California wildfires
Image credit: Pixabay

This study hypothesized that a machine learning model could accurately predict the severity of California wildfires and determine the most influential meteorological factors. It utilized a custom dataset with information from the World Weather Online API and a Kaggle dataset of wildfires in California from 2013-2020. The developed algorithms classified fires into seven categories with promising accuracy (around 55 percent). They found that higher temperatures, lower humidity, lower dew point, higher wind gusts, and higher wind speeds are the most significant contributors to the spread of a wildfire. This tool could vastly improve the efficiency and preparedness of firefighters as they deal with wildfires.

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Development of a Novel Treatment Strategy to Treat Parkinsonian Neurodegeneration by Targeting Both Lewy Body Aggregation and Dopaminergic Neuronal Degradation in a Drosophila melanogaster Model

Sama et al. | Sep 25, 2019

Development of a Novel Treatment Strategy to Treat Parkinsonian Neurodegeneration by Targeting Both Lewy Body Aggregation and Dopaminergic Neuronal Degradation in a <em>Drosophila melanogaster</em> Model

In this article the authors address the complex and life quality-diminishing neurodegenerative disease known as Parkinson's. Although genetic and/or environmental factors contribute to the etiology of the disease, the diagnostic symptoms are the same. By genetically modifying fruit flies to exhibit symptoms of Parkinson's disease, they investigate whether drugs that inhibit mitochondrial calcium uptake or activate the lysosomal degradation of proteins could improve the symptoms of Parkinson's these flies exhibit. The authors report the most promising outcome to be that when both types of drugs were used together. Their data provides encouraging evidence to support further investigation of the utility of such drugs in the treatment of human Parkinson's patients.

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