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Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

Grewal et al. | Oct 05, 2020

An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

In this study, the authors sought to find out how many mathematical solutions there were to the Indian mathematician Ramanujan's formula, which is a3 + b3 + c3 = d3, and also quantify the densities its solutions. They wrote their own computer program to do so and kept values of a, b, and c less than 10,000. While conducting the analysis, they were also looking for perfect power taxicab numbers and their frequency. They were able to find solutions and densities for the equation. Additionally, while they found that most perfect cube taxicab numbers had a frequency of 2 or 3, they also found on number with a frequency of 42!

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Do Initial Strategies or Choice of Piece Color Lead to Advantages in Chess Games?

Ponnaluri et al. | Feb 07, 2017

Do Initial Strategies or Choice of Piece Color Lead to Advantages in Chess Games?

White pieces make the first move in chess games, and there are several opening strategies and consequent defense strategies that white and black pieces, respectively, can take . The author of this paper investigated whether taking a specific opening and defense strategy, as well as playing as white vs. black, can increase the chances of winning the game, by playing against various human and computer opponents.

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Does Gaming Improve Cognitive Skills?

Chakravarti et al. | Jan 26, 2015

Does Gaming Improve Cognitive Skills?

Playing video games may improve mental performance by encouraging practicing logical reasoning skills. Students who played video games in between two tests tended to perform better on the second test than those that did not play video games.

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Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Yu et al. | Sep 12, 2022

Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Naturally occurring neuroactive alkaloids are often studied for their potential to treat Neurological diseases. This team of students study Rivastigmine, a potent cholinesterase inhibitor that is a synthetic analog of physostigmine, which comes from the Calabar bean plant Physostigma venenosum. By comparing the effects of optimized synthetic analogs to the naturally occurring alkaloid, they determine the most favorable analog for inhibition of acetylcholinesterase (AChE), the enzyme that breaks down the neurotransmitter acetylcholine (ACh) to terminate neuronal transmission and signaling between synapses.

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Physical Appearance and Its Effect on Trust

Ledesma et al. | Nov 09, 2020

Physical Appearance and Its Effect on Trust

Do different physical traits affect teenagers’ initial trust of an unknown person? Would they give greater trust to women and people of similar ethnicity? To test these hypotheses, the authors developed a survey to determine the sets of physical characteristics that affect a person's trustworthiness. They found that gender and expression were the main physical traits associated with how trustworthy an individual looks, while ethnicity was also important.

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