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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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Bacterial Richness of Soil Samples from Southern New Hampshire

Chalasani et al. | Sep 21, 2016

Bacterial Richness of Soil Samples from Southern New Hampshire

Advancement in DNA sequencing technology has greatly increased our understanding about the role of bacteria in soil. The authors of this study examine the microbial content of soil samples taken from three locations in southern New Hampshire with varying pH and plant composition.

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Evolution of Neuroplastin-65

Cremers et al. | Oct 26, 2016

Evolution of Neuroplastin-65

Human intelligence is correlated with variation in the protein neuroplastin-65, which is encoded by the NPTN gene. The authors examine the evolution of this gene across different animal species.

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Can the Growth Mindset Encourage Girls to Pursue “Male” Careers?

Lateef et al. | Oct 03, 2021

Can the Growth Mindset Encourage Girls to Pursue “Male” Careers?

Despite major advances in gender equality, men still far outnumber women in science, technology, engineering and math (STEM) professions. The purpose of this project was to determine whether mindset could affect a student’s future career choices and whether this effect differed based on gender. When looking within the gender groups, 86% of females who had a growth mindset were likely to consider a “male” career, whereas only 16% of females with fixed mindset would likely to consider a “male” career. Especially for girls, cultivating a growth mindset may be a great strategy to address the problem of fewer girls picking STEM careers.

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Quantitative definition of chemical synthetic pathway complexity of organic compounds

Baranwal et al. | Jun 19, 2023

Quantitative definition of chemical synthetic pathway complexity of organic compounds

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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The Analysis of the Effects of Smoke and Water Vapor on Insect Pheromone Communication and Physical Condition: An Investigation of the Causes of Colony Collapse Disorder

Delatorre et al. | May 20, 2015

The Analysis of the Effects of Smoke and Water Vapor on Insect Pheromone Communication and Physical Condition: An Investigation of the Causes of Colony Collapse Disorder

The cause of insect colony collapse disorder (CCD) is still a mystery. In this study, the authors aimed to test the effects of two environmental factors, water vapor and smoke levels, on the social behavior and physical condition of insects. Their findings could help shed light on how changing environmental factors can contribute to CCD.

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