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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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Collaboration beats heterogeneity: Improving federated learning-based waste classification

Chong et al. | Jul 18, 2023

Collaboration beats heterogeneity: Improving federated learning-based waste classification

Based on the success of deep learning, recent works have attempted to develop a waste classification model using deep neural networks. This work presents federated learning (FL) for a solution, as it allows participants to aid in training the model using their own data. Results showed that with less clients, having a higher participation ratio resulted in less accuracy degradation by the data heterogeneity.

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Correlation between shutdowns and CO levels across the United States.

Gupta et al. | Dec 05, 2021

Correlation between shutdowns and CO levels across the United States.

Concerns regarding the rapid spread of Sars-CoV2 in early 2020 led company and local governmental officials in many states to ask people to work from home and avoid leaving their homes; measures commonly referred to as shutdowns. Here, the authors investigate how shutdowns affected carbon monoxide (CO) levels in 15 US states using publicly available data. Their results suggest that CO levels decreased as a result of these measures over the course of 2020, a trend which started to reverse after shutdowns ended.

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Prediction of preclinical Aβ deposit in Alzheimer’s disease mice using EEG and machine learning

Igarashi et al. | Nov 29, 2022

Prediction of preclinical Aβ deposit in Alzheimer’s disease mice using EEG and machine learning

Alzheimer’s disease (AD) is a common disease affecting 6 million people in the U.S., but no cure exists. To create therapy for AD, it is critical to detect amyloid-β protein in the brain at the early stage of AD because the accumulation of amyloid-β over 20 years is believed to cause memory impairment. However, it is difficult to examine amyloid-β in patients’ brains. In this study, we hypothesized that we could accurately predict the presence of amyloid-β using EEG data and machine learning.

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A novel approach for predicting Alzheimer’s disease using machine learning on DNA methylation in blood

Adami et al. | Sep 20, 2023

A novel approach for predicting Alzheimer’s disease using machine learning on DNA methylation in blood
Image credit: National Cancer Institute

Here, recognizing the difficulty associated with tracking the progression of dementia, the authors used machine learning models to predict between the presence of cognitive normalcy, mild cognitive impairment, and Alzheimer's Disease, based on blood DNA methylation levels, sex, and age. With four machine learning models and two dataset dimensionality reduction methods they achieved an accuracy of 53.33%.

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