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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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Overcoming The Uncanny Valley Through Shared Stressful Experience with a Humanoid Robot

Bing et al. | Jun 12, 2018

Overcoming The Uncanny Valley Through Shared Stressful Experience with a Humanoid Robot

The "Uncanny Valley" is a phenomenon in which humans feel discomfort in the presence of objects that are almost, but not quite, human-like. In this study, the authors tested whether this phenomenon could be overcome by sharing a stressful experience with a humanoid robot. They found that human subjects more readily accepted a robot partner that they had previously shared a stressful experience with, suggesting a potential method for increasing the effectiveness of beneficial human-robot interactions by reducing the Uncanny Valley effect.

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Nintendo Da Vinci: A Novel Control System to Improve Performance in Robotic-Assisted Surgery

Al-Akash et al. | Oct 26, 2019

Nintendo Da Vinci: A Novel Control System to Improve Performance in Robotic-Assisted Surgery

Complications of robotic-assisted surgery are on the rise, partly due to surgeons not receiving proper training. Al-Akash and Al-Akash hypothesized Nintendo JoyCon controls would improve surgical performance compared to the FDA-approved Da Vinci Surgical System with two user groups (doctor and gamer). Their results show that implementing a Nintendo JoyCon control system is associated with improved surgical performance and learning rate compared to the Da Vinci Surgical System.

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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

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Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

Singh et al. | Apr 24, 2023

Time-Efficient and Low-Cost Neural Network to detect plant disease on leaves and reduce food loss and waste

About 25% of the food grown never reaches consumers due to spoilage, and 11.5 billion pounds of produce from gardens are wasted every year. Current solutions involve farmers manually looking for and treating diseased crops. These methods of tending crops are neither time-efficient nor feasible. I used a convolutional neural network to identify signs of plant disease on leaves for garden owners and farmers.

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Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

Poosarla et al. | Oct 19, 2021

Strain-selective <i>in vitro</i> and <i>in silico</i> structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

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