Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

The personal care products suppress reactions between skin oils and ozone. It's not clear how, or if, this chemistry change might impact human health.

Enantiomers, or molecule pairs that are mirror images of each other, make up more than half of FDA-approved drugs in use ...

AI-driven beauty formulations have arrived, and in myriad forms. But what exactly does this new era of tech-optimized product ...

In 2022 a team discovered that high levels of OH radicals can be generated indoors, simply due to the presence of people and ozone. This means: People generate their own oxidation field and change the ...

4 Department of Gastroenterology and Hepatology, University Hospitals Leuven, KU Leuven, Belgium Correspondence to Dr Marc Ferrante, Department of Gastroenterology and Hepatology, University Hospitals ...

Find more information on the Altmetric Attention Score and how the score is calculated. We find, through atomistic molecular dynamics simulation of native cyclodextrins (CDs) in water, that although ...

To address this, we developed a mathematical model for the HPA axis that incorporates changes in the total functional mass of the HPA hormone‐secreting glands. The mass changes are caused by HPA ...

Further research will also be aimed at improving the model’s ability to learn from complex molecule data and generate molecules that exhibit a wider range of potential interactions. Despite the need ...

This paper proposes TarMGDif, a novel target-specific molecular graph generation model based on a discrete denoising diffusion framework which could handle graph structure. TarMGDif incorporates a ...

Looking for an air purifier to get rid of pet dander, hair and smells? You are in the right place. These are the best air ...

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