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Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

Ramprasad et al. | Mar 18, 2020

Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures

In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.

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Automated classification of nebulae using deep learning & machine learning for enhanced discovery

Nair et al. | Feb 01, 2024

Automated classification of nebulae using deep learning & machine learning for enhanced discovery

There are believed to be ~20,000 nebulae in the Milky Way Galaxy. However, humans have only cataloged ~1,800 of them even though we have gathered 1.3 million nebula images. Classification of nebulae is important as it helps scientists understand the chemical composition of a nebula which in turn helps them understand the material of the original star. Our research on nebulae classification aims to make the process of classifying new nebulae faster and more accurate using a hybrid of deep learning and machine learning techniques.

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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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Comparative Gamma Radiation Analysis by Geographic Region

Zadan et al. | Jul 20, 2015

Comparative Gamma Radiation Analysis by Geographic Region

Gamma radiation can be produced by both natural and man-made sources and abnormally high exposure levels could lead to an increase in cell damage. In this study, gamma radiation was measured at different locations and any correlation with various geographic factors, such as distance from a city center, elevation and proximity to the nearest nuclear reactor, was determined.

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Effects of material advantage and space advantage on the Komodo and Stockfish chess engines

Kaushikan et al. | May 14, 2024

Effects of material advantage and space advantage on the Komodo and Stockfish chess engines
Image credit: The authors

Chess engines, or computer programs built to play chess, outperform even the best human players. Kaushikan and Park investigate the inner workings of these chess engines by studying popular chess engines' evaluations of which side of a chess match is most likely to win, and how this is affected by the number of pieces and controlled squares on each side.

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The Impact of Effective Density and Compressive Strength on the Structure of Crumpled Paper Balls

Chu et al. | Nov 19, 2020

The Impact of Effective Density and Compressive Strength on the Structure of Crumpled Paper Balls

Crumpling is the process whereby a sheet of paper undergoes deformation to yield a three-dimensional structure comprising a random network of ridges and facets with variable density. The authors hypothesized that the more times a paper sheet is crumpled, the greater its compressive strength. Their results show a relatively strong linear relationship between the number of times a paper sheet is crumpled and its compressive strength.

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Testing Various Synthetic and Natural Fiber Materials for Soundproofing

Karuppiah et al. | Jun 15, 2017

Testing Various Synthetic and Natural Fiber Materials for Soundproofing

Noise pollution negatively impacts the health and behavioral routines of humans and other animals, but the production of synthetic sound-absorbing materials contributes to harmful gas emissions into the atmosphere. The authors of this paper investigated the effectiveness of environmentally-friendly, cheap natural-fiber materials, such as jute, as replacements for synthetic materials, such as gypsum and foam, in soundproofing.

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