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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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LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture

Zhang et al. | Jul 19, 2020

LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture

In this study, the authors develop an architecture to implement in a cloud-based database used by law firms to ensure confidentiality, availability, and integrity of attorney documents while maintaining greater efficiency than traditional encryption algorithms. They assessed whether the architecture satisfies necessary criteria and tested the overall file sizes the architecture could process. The authors found that their system was able to handle larger file sizes and fit engineering criteria. This study presents a valuable new tool that can be used to ensure law firms have adequate security as they shift to using cloud-based storage systems for their files.

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Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae

Jani et al. | Aug 11, 2023

Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae
Image credit: Jordan Whitfield

Modern day fossil fuels are prone to polluting our environment, which can provide major habitat loss to many animals in our ecosystems. Algae-based biofuels have become an increasingly popular alternative to fossil fuels because of their sustainability, effectiveness, and environmentally-friendly nature. To encourage algae growth and solidify its role as an emerging biofuel, we tested basic (in terms of pH) solutions on pond water to determine which solution is most efficient in inducing the growth of algae.

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Increased carmine red exposure periods yields a higher number of vacuoles formed in Tetrahymena pyriformis

Shah et al. | Nov 18, 2022

Increased carmine red exposure periods yields a higher number of vacuoles formed in <em>Tetrahymena pyriformis</em>

T. pyriformis can use phagocytosis to create vacuoles of carmine red, a dye which is made using crushed insects and is full of nutrients. Establishing a relationship between vacuole formation and duration of exposure to food can demonstrate how phagocytosis occurs in T. pyriformis. We hypothesized that if T. pyriformis was incubated in a carmine red solution, then more vacuoles would form over time in each cell.

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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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