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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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Analyzing resilience in a sample population as a novel qualifier for triage in psychological first aid

Ramesh et al. | Apr 18, 2023

Analyzing resilience in a sample population as a novel qualifier for triage in psychological first aid
Image credit: Mat Napo

While serving as an immediate address for psychological safety and stability, psychological first aid (PFA) currently lacks the incorporation of triage. Without triage, patients cannot be prioritized in correspondence to condition severity that is often called for within emergency conditions. To disentangle the relevance of a potential triage system to PFA, the authors of this paper have developed a method to quantify resilience - a prominent predictor of the capability to recover from a disaster. With this resilience index, they have quantified resilience of differing age, race, and sex demographics to better inform the practice of PFA and potential demographic prioritization via a triage system.

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Ant Colony Optimization Algorithms with Multiple Simulated Colonies Offer Potential Advantages for Solving the Traveling Salesman Problem and, by Extension, Other Optimization Problems

Wildenhain et al. | May 22, 2015

Ant Colony Optimization Algorithms with Multiple Simulated Colonies Offer Potential Advantages for Solving the Traveling Salesman Problem and, by Extension, Other Optimization Problems

Ant colony optimization algorithms simulate ants moving from point to point on a graph and coordinate their actions, similar to ants laying down pheromones to strengthen a path as it is used more frequently. These ACO algorithms can be applied to the classic traveling salesman problem, which aims to determine the lowest-cost path through a given set of points on a graph. In this study, a novel multiple-colony system was developed that uses multiple simulated ant colonies to generate improved solutions to the traveling salesman problem.

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An improved video fingerprinting attack on users of the Tor network

Srikanth et al. | Mar 31, 2022

An improved video fingerprinting attack on users of the Tor network

The Tor network allows individuals to secure their online identities by encrypting their traffic, however it is vulnerable to fingerprinting attacks that threaten users' online privacy. In this paper, the authors develop a new video fingerprinting model to explore how well video streaming can be fingerprinted in Tor. They found that their model could distinguish which one of 50 videos a user was hypothetically watching on the Tor network with 85% accuracy, demonstrating that video fingerprinting is a serious threat to the privacy of Tor users.

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Effect of the Herbal Formulation HF1 on the Expression of PD-L1 in PC3 cells

Imani et al. | Nov 15, 2019

Effect of the Herbal Formulation HF1 on the Expression of PD-L1 in PC3 cells

In this study, Imani et al. investigate whether a new proprietary herbal formulation, HF1, can inhibit expression of immune suppressor protein PD-L1. PD-L1 is a transmembrane protein that can be expressed by cancer cells to assist in their ability to avoid attacks from the immune system. Work from this study demonstrates that HF1 treatment can reduce expression of PD-L1 in cultured cancer cells, implicating HF1 as a potential new cancer therapy.

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Effects on Learning and Memory of a Mutation in Dα7: A D. melanogaster Homolog of Alzheimer's Related Gene for nAChR α7

Sanyal et al. | Oct 01, 2019

Effects on Learning and Memory of a Mutation in Dα7: A <em>D. melanogaster</em> Homolog of Alzheimer's Related Gene for nAChR α7

Alzheimer's disease (AD) involves the reduction of cholinergic activity due to a decrease in neuronal levels of nAChR α7. In this work, Sanyal and Cuellar-Ortiz explore the role of the nAChR α7 in learning and memory retention, using Drosophila melanogaster as a model organism. The performance of mutant flies (PΔEY6) was analyzed in locomotive and olfactory-memory retention tests in comparison to wild type (WT) flies and an Alzheimer's disease model Arc-42 (Aβ-42). Their results suggest that the lack of the D. melanogaster-nAChR causes learning, memory, and locomotion impairments, similar to those observed in Alzheimer's models Arc-42.

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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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The Effects of Atmospheric Attenuation on Cosmic Ray Muons: How is Surface Level Cosmic Ray Muon Flux Affected by Atmospheric Attenuation?

Sun et al. | Sep 11, 2021

The Effects of Atmospheric Attenuation on Cosmic Ray Muons: How is Surface Level Cosmic Ray Muon Flux Affected by Atmospheric Attenuation?

Cosmic rays are high-energy astronomical particles originating from various sources across the universe. Here, The authors sought to understand how surface-level cosmic-ray muon flux is affected by atmospheric attenuation by measuring the variation in relative muon-flux rate relative to zenith angle, testing the hypothesis that muons follow an exponential attenuation model. The attenuation model predicts an attenuation length of 6.3 km. This result implies that only a maximum of 24% of muons can reach the Earth’s surface, due to both decay and atmospheric interactions.

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