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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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Artificial Intelligence Networks Towards Learning Without Forgetting

Kreiman et al. | Oct 26, 2018

Artificial Intelligence Networks Towards Learning Without Forgetting

In their paper, Kreiman et al. examined what it takes for an artificial neural network to be able to perform well on a new task without forgetting its previous knowledge. By comparing methods that stop task forgetting, they found that longer training times and maintenance of the most important connections in a particular task while training on a new one helped the neural network maintain its performance on both tasks. The authors hope that this proof-of-principle research will someday contribute to artificial intelligence that better mimics natural human intelligence.

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Thermoelectric Power Generation: Harnessing Solar Thermal Energy to Power an Air Conditioner

Lew et al. | Jul 06, 2021

Thermoelectric Power Generation: Harnessing Solar Thermal Energy to Power an Air Conditioner

The authors test the feasibility of using thermoelectric modules as a power source and as an air conditioner to decrease reliance on fossil fuels. The results showed that, at its peak, their battery generated 27% more power – in watts per square inch – than a solar panel, and the thermoelectric air conditioner operated despite an unsteady input voltage. The battery has incredible potential, especially if its peak power output can be maintained.

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The effect of activation function choice on the performance of convolutional neural networks

Wang et al. | Sep 15, 2023

The effect of activation function choice on the performance of convolutional neural networks
Image credit: Tara Winstead

With the advance of technology, artificial intelligence (AI) is now applied widely in society. In the study of AI, machine learning (ML) is a subfield in which a machine learns to be better at performing certain tasks through experience. This work focuses on the convolutional neural network (CNN), a framework of ML, applied to an image classification task. Specifically, we analyzed the performance of the CNN as the type of neural activation function changes.

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