Browse Articles

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.

Read More...

Health services in Iraq - A cross-sectional survey of adolescents in Basra

Al Saeedi et al. | Aug 12, 2022

Health services in Iraq - A cross-sectional survey of adolescents in Basra

This study is a cross-sectional survey of adolescents in Basra, Iraq, from November 2020 to March 2021 about types of adolescent problems, the individuals and institutions adolescents turn to, and the role of public health centers in dealing with their problems. The survey found that psychological problems represent the largest proportion of health problems, and most adolescents turn to their parents to discuss their problems. The work indicates that there is an urgent need to pay attention to public health centers and provide health and psychological support to adolescents.

Read More...

Genomic Signature Analysis for the Strategic Bioremediation of Polycyclic Aromatic Hydrocarbons in Mangrove Ecosystems in the Gulf of Tonkin

Dao et al. | Jun 27, 2021

Genomic Signature Analysis for the Strategic Bioremediation of Polycyclic Aromatic Hydrocarbons in Mangrove Ecosystems in the Gulf of Tonkin

Engineered bacteria that degrade oil are currently being considered as a safe option for the treatment of oil spills. For this approach to be successful, the bacteria must effectively express oil-degrading genes they uptake as part of an external genoming vehicle called a "plasmid". Using a computational approach, the authors investigate plasmid-bacterium compatibility to find pairs that ensure high levels of gene expression.

Read More...

Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.

Read More...

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.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level